smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000672381 203847916 /nfs/dbraw/zinc/84/79/16/203847916.db2.gz DQHBXGPICFBMPJ-UHFFFAOYSA-N 0 0 375.406 2.632 50 5 GFBARN CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001151359 203890603 /nfs/dbraw/zinc/89/06/03/203890603.db2.gz DHCCNJMVVCDDFS-LLVKDONJSA-N 0 0 383.360 2.617 50 5 GFBARN O=C(c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000002858842 203969333 /nfs/dbraw/zinc/96/93/33/203969333.db2.gz JUDXLCWLIOAQNW-UHFFFAOYSA-N 0 0 386.433 2.876 50 5 GFBARN Cc1nn(-c2ccccc2)c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000004293801 204037048 /nfs/dbraw/zinc/03/70/48/204037048.db2.gz MNEXIZJWEMEPNY-UHFFFAOYSA-N 0 0 388.361 2.830 50 5 GFBARN CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003330302 203999277 /nfs/dbraw/zinc/99/92/77/203999277.db2.gz GPZMRNZNZBEPAT-UHFFFAOYSA-N 0 0 398.824 2.612 50 5 GFBARN Cc1nc([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)n1Cc1ccccc1 ZINC000003832887 204019768 /nfs/dbraw/zinc/01/97/68/204019768.db2.gz FLYIWANIVQCZNQ-UHFFFAOYSA-N 0 0 378.436 2.870 50 5 GFBARN COC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000003883357 204021671 /nfs/dbraw/zinc/02/16/71/204021671.db2.gz KBYFODCBXYUVRQ-UHFFFAOYSA-N 0 0 377.275 2.911 50 5 GFBARN COc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)c([N+](=O)[O-])c1 ZINC000004189732 204031632 /nfs/dbraw/zinc/03/16/32/204031632.db2.gz RYWUNRFHNYFEAB-MRXNPFEDSA-N 0 0 384.392 2.982 50 5 GFBARN C[C@@H]1CCCN(S(=O)(=O)c2cc3c(=O)nc4ccccn4c3cc2Cl)C1 ZINC000004708604 204067046 /nfs/dbraw/zinc/06/70/46/204067046.db2.gz AWJNZIYBGZQHDY-GFCCVEGCSA-N 0 0 391.880 2.922 50 5 GFBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1c(F)cc(F)cc1Br ZINC000004873982 204085016 /nfs/dbraw/zinc/08/50/16/204085016.db2.gz OYGTXHRZBQDZAR-UHFFFAOYSA-N 0 0 390.144 2.646 50 5 GFBARN O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663650 204060280 /nfs/dbraw/zinc/06/02/80/204060280.db2.gz PEGBEECBBAZQRZ-UHFFFAOYSA-N 0 0 375.812 2.976 50 5 GFBARN O=C(OCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000005100658 204110806 /nfs/dbraw/zinc/11/08/06/204110806.db2.gz VIYXECFWPITYKN-UHFFFAOYSA-N 0 0 398.415 2.950 50 5 GFBARN Cc1cccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005054682 204107449 /nfs/dbraw/zinc/10/74/49/204107449.db2.gz HQOVUYBKABMYLG-UHFFFAOYSA-N 0 0 379.372 2.946 50 5 GFBARN COc1ccc(C2=N/C(=C\c3ccc4c(c3)OCCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000005702937 204147638 /nfs/dbraw/zinc/14/76/38/204147638.db2.gz NAWKRZQHTAFPIY-JYRVWZFOSA-N 0 0 382.328 2.719 50 5 GFBARN Cn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000006508108 204181913 /nfs/dbraw/zinc/18/19/13/204181913.db2.gz VEYGFGFXEZRYAP-UHFFFAOYSA-N 0 0 388.384 2.655 50 5 GFBARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006888762 204220472 /nfs/dbraw/zinc/22/04/72/204220472.db2.gz KRXFHCHEHFQPJZ-UHFFFAOYSA-N 0 0 394.815 2.832 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000007309426 204238228 /nfs/dbraw/zinc/23/82/28/204238228.db2.gz WSNXXXPXEDKHHP-MRXNPFEDSA-N 0 0 390.417 2.892 50 5 GFBARN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000007726728 204247935 /nfs/dbraw/zinc/24/79/35/204247935.db2.gz MXLOOJSFMBULSD-UHFFFAOYSA-N 0 0 391.405 2.531 50 5 GFBARN O=C(COc1cccc(Br)c1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000007842727 204252785 /nfs/dbraw/zinc/25/27/85/204252785.db2.gz CENIIKHZKAGXSX-HNNXBMFYSA-N 0 0 395.209 2.586 50 5 GFBARN COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000008751459 204288273 /nfs/dbraw/zinc/28/82/73/204288273.db2.gz BGBVZWIKSORINU-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000008946265 204294678 /nfs/dbraw/zinc/29/46/78/204294678.db2.gz ZBVGMDIWLUQNEF-HXUWFJFHSA-N 0 0 396.403 2.781 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000010826742 204339323 /nfs/dbraw/zinc/33/93/23/204339323.db2.gz INILKFZQWTZITP-GFCCVEGCSA-N 0 0 384.392 2.779 50 5 GFBARN C[C@@H]1CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000009361309 204309030 /nfs/dbraw/zinc/30/90/30/204309030.db2.gz VMXHTJMPCSAJOW-NXEZZACHSA-N 0 0 378.820 2.978 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000009427063 204311757 /nfs/dbraw/zinc/31/17/57/204311757.db2.gz LMQNOVULJNSEEA-UHFFFAOYSA-N 0 0 396.388 2.779 50 5 GFBARN Cc1c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000009699556 204320360 /nfs/dbraw/zinc/32/03/60/204320360.db2.gz TVQCICWTKPTAEZ-GFCCVEGCSA-N 0 0 395.412 2.836 50 5 GFBARN Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000010200254 204330919 /nfs/dbraw/zinc/33/09/19/204330919.db2.gz FCFQRMSCXCKODV-LBPRGKRZSA-N 0 0 385.380 2.842 50 5 GFBARN COc1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])c1 ZINC000011575679 204347881 /nfs/dbraw/zinc/34/78/81/204347881.db2.gz GGWVYRWZSWMMNC-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1cnc2ccccc2c1=O ZINC000014139543 204523365 /nfs/dbraw/zinc/52/33/65/204523365.db2.gz QFMKVOUTIIBOST-UHFFFAOYSA-N 0 0 386.795 2.617 50 5 GFBARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000040153768 205059946 /nfs/dbraw/zinc/05/99/46/205059946.db2.gz JEOXJTFYNAXZGE-UHFFFAOYSA-N 0 0 398.398 2.687 50 5 GFBARN O=c1c2cc3c(ccn(C[C@H]4CCCO4)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398782 205063773 /nfs/dbraw/zinc/06/37/73/205063773.db2.gz RAKNBICRXAROJC-QGZVFWFLSA-N 0 0 387.439 2.939 50 5 GFBARN Cc1cccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000041675091 205079725 /nfs/dbraw/zinc/07/97/25/205079725.db2.gz LUNGJZRZURZDKW-LBPRGKRZSA-N 0 0 377.422 2.766 50 5 GFBARN COc1ccc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1OC ZINC000057477681 205157727 /nfs/dbraw/zinc/15/77/27/205157727.db2.gz GDKYCGCBZZLXSU-UHFFFAOYSA-N 0 0 389.411 2.795 50 5 GFBARN O=C(N[C@@H](c1nc[nH]n1)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000095467859 205463805 /nfs/dbraw/zinc/46/38/05/205463805.db2.gz OYIMIMDHRLFIDE-GOSISDBHSA-N 0 0 392.419 2.833 50 5 GFBARN CCOc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000007215188 205783112 /nfs/dbraw/zinc/78/31/12/205783112.db2.gz GEQNHBJPAOXMSQ-UHFFFAOYSA-N 0 0 380.422 2.823 50 5 GFBARN CC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006503464 205777391 /nfs/dbraw/zinc/77/73/91/205777391.db2.gz WXQYQNNUWZECQN-JLHYYAGUSA-N 0 0 377.422 2.793 50 5 GFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000012886323 205881645 /nfs/dbraw/zinc/88/16/45/205881645.db2.gz UEUWSUHPRJBEGO-CQSZACIVSA-N 0 0 381.392 2.774 50 5 GFBARN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N2CCOCC2)cc1 ZINC000022402906 205952683 /nfs/dbraw/zinc/95/26/83/205952683.db2.gz SXKCFMRFSBIAGI-FQEVSTJZSA-N 0 0 399.447 2.715 50 5 GFBARN CC1=Nc2nnnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC1CCCCC1 ZINC000001291982 220483892 /nfs/dbraw/zinc/48/38/92/220483892.db2.gz OFLBQGQLVXGLJT-MRXNPFEDSA-N 0 0 384.396 2.746 50 5 GFBARN C[C@@H]1CC(=O)N(c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000102603453 136190306 /nfs/dbraw/zinc/19/03/06/136190306.db2.gz KLPYHMQZMNQHGL-OAHLLOKOSA-N 0 0 394.431 2.821 50 5 GFBARN Cc1nc([C@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000097229128 551196207 /nfs/dbraw/zinc/19/62/07/551196207.db2.gz KNBRDVXJOBOBSD-LURJTMIESA-N 0 0 380.304 2.753 50 5 GFBARN O=C1[C@H]2CCC[C@H]2N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072301660 570256555 /nfs/dbraw/zinc/25/65/55/570256555.db2.gz SQBHHMQZZPEULI-UONOGXRCSA-N 0 0 398.385 2.704 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000668678 570286398 /nfs/dbraw/zinc/28/63/98/570286398.db2.gz VCGDAIVFCUMTMK-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN CCOc1ccccc1-c1noc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000014093677 570288980 /nfs/dbraw/zinc/28/89/80/570288980.db2.gz HRVXKRVLEQJDPB-UHFFFAOYSA-N 0 0 393.359 2.802 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000024832558 570310694 /nfs/dbraw/zinc/31/06/94/570310694.db2.gz QRCFKXPYPMTFGQ-UHFFFAOYSA-N 0 0 390.827 2.752 50 5 GFBARN CC[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000023748494 570332435 /nfs/dbraw/zinc/33/24/35/570332435.db2.gz LVYFMRZYOLSSQC-AWEZNQCLSA-N 0 0 383.404 2.630 50 5 GFBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 ZINC000000793059 570334515 /nfs/dbraw/zinc/33/45/15/570334515.db2.gz KWJAIBKUVJJJBV-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)CCC2 ZINC000000845132 570444274 /nfs/dbraw/zinc/44/42/74/570444274.db2.gz SGBKJPSDTLEBBD-UHFFFAOYSA-N 0 0 392.437 2.774 50 5 GFBARN Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000024215684 570478972 /nfs/dbraw/zinc/47/89/72/570478972.db2.gz QAIAQBFLJOKVOP-UHFFFAOYSA-N 0 0 386.433 2.842 50 5 GFBARN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(F)cc1F ZINC000022959842 570516680 /nfs/dbraw/zinc/51/66/80/570516680.db2.gz KTDJEOIDCWNOGR-UHFFFAOYSA-N 0 0 386.332 2.769 50 5 GFBARN CC1(C)Cc2c(sc3nc(Cc4ccc([N+](=O)[O-])cc4)n(N)c(=O)c23)CO1 ZINC000005010383 570541156 /nfs/dbraw/zinc/54/11/56/570541156.db2.gz FIMKAOLSZYXIIT-UHFFFAOYSA-N 0 0 386.433 2.522 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000022864213 570557961 /nfs/dbraw/zinc/55/79/61/570557961.db2.gz GEBGKKOMDFSSGZ-UHFFFAOYSA-N 0 0 375.406 2.596 50 5 GFBARN COc1cccc(CCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000024351155 570676864 /nfs/dbraw/zinc/67/68/64/570676864.db2.gz YGRGZTIZRLKHEQ-UHFFFAOYSA-N 0 0 388.376 2.727 50 5 GFBARN COc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025168940 570739587 /nfs/dbraw/zinc/73/95/87/570739587.db2.gz XYJVOWIYOHGGRF-HNNXBMFYSA-N 0 0 376.434 2.999 50 5 GFBARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000100910628 570779815 /nfs/dbraw/zinc/77/98/15/570779815.db2.gz YPSWRBBSIFZTOX-ZCXUNETKSA-N 0 0 389.389 2.735 50 5 GFBARN CCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000101035658 570786937 /nfs/dbraw/zinc/78/69/37/570786937.db2.gz FBLVIVPEWMGSAO-MSUUIHNZSA-N 0 0 377.378 2.982 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NCCCOCC2CC2)c([N+](=O)[O-])c1 ZINC000018063101 570798245 /nfs/dbraw/zinc/79/82/45/570798245.db2.gz MWJIZWYTDJUCBU-UHFFFAOYSA-N 0 0 385.486 2.854 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000101359592 570821019 /nfs/dbraw/zinc/82/10/19/570821019.db2.gz CMMXSEOCUPJBKC-GVAFMPQTSA-N 0 0 393.193 2.580 50 5 GFBARN COc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)c([N+](=O)[O-])c1 ZINC000012517040 570825596 /nfs/dbraw/zinc/82/55/96/570825596.db2.gz ICOGYZXQWSFPEU-UHFFFAOYSA-N 0 0 384.392 2.781 50 5 GFBARN O=C1CCCC(=O)N1c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004684504 570830147 /nfs/dbraw/zinc/83/01/47/570830147.db2.gz FWDMQYNRQJHIAE-UHFFFAOYSA-N 0 0 394.431 2.965 50 5 GFBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000012561625 570866598 /nfs/dbraw/zinc/86/65/98/570866598.db2.gz RDSRSBQOEXLULA-DIFFPNOSSA-N 0 0 398.371 2.728 50 5 GFBARN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2ON=C(c3ccccc3Cl)C2=C1O ZINC000103545143 570886875 /nfs/dbraw/zinc/88/68/75/570886875.db2.gz RAPOUFQYDHXOJB-HOCLYGCPSA-N 0 0 385.763 2.849 50 5 GFBARN CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000016738799 570932083 /nfs/dbraw/zinc/93/20/83/570932083.db2.gz NUNFWHYOFIWTAS-UHFFFAOYSA-N 0 0 379.482 2.895 50 5 GFBARN COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c(OC)c1OC ZINC000015576601 571022243 /nfs/dbraw/zinc/02/22/43/571022243.db2.gz DNCLQRCHVRHBCK-UHFFFAOYSA-N 0 0 390.348 2.644 50 5 GFBARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000001439734 571044257 /nfs/dbraw/zinc/04/42/57/571044257.db2.gz NMSKHGOGNAJRIG-SFHVURJKSA-N 0 0 389.371 2.901 50 5 GFBARN CCOC(=O)C(=Cc1ccc(C)c([N+](=O)[O-])c1)C1=CSc2nnc(C)n2N1 ZINC000008476380 203827058 /nfs/dbraw/zinc/82/70/58/203827058.db2.gz FVKJWYFBAPPVJA-NTUHNPAUSA-N 0 0 387.421 2.760 50 5 GFBARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000712584 203849759 /nfs/dbraw/zinc/84/97/59/203849759.db2.gz MWJDWBXKECJTEJ-HNNXBMFYSA-N 0 0 382.372 2.682 50 5 GFBARN Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C[C@H]1CCCO1 ZINC000000887422 203862555 /nfs/dbraw/zinc/86/25/55/203862555.db2.gz NLCVPICVBWCCQI-CQSZACIVSA-N 0 0 391.453 2.713 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000951460 203867944 /nfs/dbraw/zinc/86/79/44/203867944.db2.gz YMCBMALFAPOVET-QGZVFWFLSA-N 0 0 397.387 2.863 50 5 GFBARN O=C(NC(=S)N(CC1CCC1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000001067265 203879631 /nfs/dbraw/zinc/87/96/31/203879631.db2.gz LNAUEMNSCSWIKP-MRXNPFEDSA-N 0 0 377.466 2.891 50 5 GFBARN CSCC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000002064437 203925319 /nfs/dbraw/zinc/92/53/19/203925319.db2.gz OWULITKETLYWHB-MRXNPFEDSA-N 0 0 399.428 2.951 50 5 GFBARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000003441907 204008257 /nfs/dbraw/zinc/00/82/57/204008257.db2.gz FRAQNCUCSHJTRZ-LBPRGKRZSA-N 0 0 386.360 2.990 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004066250 204026248 /nfs/dbraw/zinc/02/62/48/204026248.db2.gz DJVIFJNXXQGTPZ-SFHVURJKSA-N 0 0 397.387 2.845 50 5 GFBARN C[C@H]1CCCN(S(=O)(=O)c2cc3c(=O)nc4ccccn4c3cc2Cl)C1 ZINC000004708606 204067116 /nfs/dbraw/zinc/06/71/16/204067116.db2.gz AWJNZIYBGZQHDY-LBPRGKRZSA-N 0 0 391.880 2.922 50 5 GFBARN COC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000004710825 204068604 /nfs/dbraw/zinc/06/86/04/204068604.db2.gz CGIICAOWMAYSIT-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN CN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004776451 204074967 /nfs/dbraw/zinc/07/49/67/204074967.db2.gz CVKHKNUHEUXHPC-SFHVURJKSA-N 0 0 378.388 2.587 50 5 GFBARN O=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004759860 204075038 /nfs/dbraw/zinc/07/50/38/204075038.db2.gz RXNHTTGVECSDLG-UHFFFAOYSA-N 0 0 395.371 2.790 50 5 GFBARN Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C1CCCCC1 ZINC000004854995 204083166 /nfs/dbraw/zinc/08/31/66/204083166.db2.gz MZFSHOZGYCXVRM-UHFFFAOYSA-N 0 0 376.442 2.679 50 5 GFBARN Nc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000004871933 204084406 /nfs/dbraw/zinc/08/44/06/204084406.db2.gz JPKWCCYSPYWULN-UHFFFAOYSA-N 0 0 385.163 2.674 50 5 GFBARN NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005091084 204110249 /nfs/dbraw/zinc/11/02/49/204110249.db2.gz FPQGCVOHIFLPDO-UHFFFAOYSA-N 0 0 389.355 2.916 50 5 GFBARN Cc1nc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cs1 ZINC000005207268 204118761 /nfs/dbraw/zinc/11/87/61/204118761.db2.gz NGIKZVBPXGFOCP-UHFFFAOYSA-N 0 0 383.451 2.723 50 5 GFBARN Cc1c(NC(=O)Cn2ncc3c2c2ccccc2oc3=O)cccc1[N+](=O)[O-] ZINC000005004782 204102426 /nfs/dbraw/zinc/10/24/26/204102426.db2.gz RMGFSOVUZVAPKS-UHFFFAOYSA-N 0 0 378.344 2.998 50 5 GFBARN CCOc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005029246 204104819 /nfs/dbraw/zinc/10/48/19/204104819.db2.gz HIFNGVPGJMQERT-VXGBXAGGSA-N 0 0 388.428 2.723 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccc(Cl)s1 ZINC000005854164 204154873 /nfs/dbraw/zinc/15/48/73/204154873.db2.gz MYJOUFWCEXVKBV-UHFFFAOYSA-N 0 0 384.797 2.754 50 5 GFBARN Cc1cccc2sc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)nc21 ZINC000006542283 204183140 /nfs/dbraw/zinc/18/31/40/204183140.db2.gz HHVKVRSRJRKRSQ-UHFFFAOYSA-N 0 0 396.384 2.748 50 5 GFBARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000007000058 204228933 /nfs/dbraw/zinc/22/89/33/204228933.db2.gz JPQHGJOCDGJKCJ-UHFFFAOYSA-N 0 0 380.353 2.940 50 5 GFBARN Cc1cc(C)cc(OCCOC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000007047669 204231034 /nfs/dbraw/zinc/23/10/34/204231034.db2.gz JLRFTBZWYNDRCU-UHFFFAOYSA-N 0 0 393.417 2.851 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1c[nH]c2ccccc12 ZINC000007167076 204235293 /nfs/dbraw/zinc/23/52/93/204235293.db2.gz OIBACUMWURQEAD-UHFFFAOYSA-N 0 0 383.360 2.520 50 5 GFBARN Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000007738011 204248523 /nfs/dbraw/zinc/24/85/23/204248523.db2.gz BWCIHHQGLDLWKZ-UHFFFAOYSA-N 0 0 393.403 2.597 50 5 GFBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)N1CCc2ccccc21 ZINC000008408534 204276117 /nfs/dbraw/zinc/27/61/17/204276117.db2.gz APNJTJINYMGACK-LBPRGKRZSA-N 0 0 398.371 2.501 50 5 GFBARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000009426463 204311723 /nfs/dbraw/zinc/31/17/23/204311723.db2.gz GPBRMOSGUJJVCQ-AWEZNQCLSA-N 0 0 399.403 2.765 50 5 GFBARN COc1ccc(CCC(=O)Nn2c(=O)oc3cc4ccccc4cc3c2=O)cc1 ZINC000009576550 204316951 /nfs/dbraw/zinc/31/69/51/204316951.db2.gz SJDKBCUGBCISLH-UHFFFAOYSA-N 0 0 390.395 2.819 50 5 GFBARN C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011458324 204347021 /nfs/dbraw/zinc/34/70/21/204347021.db2.gz GMZKNTOLQRFXOT-LLVKDONJSA-N 0 0 381.344 2.620 50 5 GFBARN Cc1cc(=O)c(C(=O)NCCc2ccccc2F)nn1-c1ccccc1[N+](=O)[O-] ZINC000012774796 204446734 /nfs/dbraw/zinc/44/67/34/204446734.db2.gz WQNNLKKSZPONKB-UHFFFAOYSA-N 0 0 396.378 2.561 50 5 GFBARN COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1OC ZINC000012919316 204466253 /nfs/dbraw/zinc/46/62/53/204466253.db2.gz GWWKFLCALHJRFX-ZDUSSCGKSA-N 0 0 399.403 2.912 50 5 GFBARN O=C(c1cccc(CN2C(=O)CSC2=O)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029888486 204893302 /nfs/dbraw/zinc/89/33/02/204893302.db2.gz RIMLVAFWQWQNOB-UHFFFAOYSA-N 0 0 397.412 2.993 50 5 GFBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035870315 204999192 /nfs/dbraw/zinc/99/91/92/204999192.db2.gz SRMRJLBXLHKMRU-FPOVZHCZSA-N 0 0 392.459 2.741 50 5 GFBARN CNc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000036397392 205016324 /nfs/dbraw/zinc/01/63/24/205016324.db2.gz TYZWSRJQXHFXBN-UHFFFAOYSA-N 0 0 395.419 2.757 50 5 GFBARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 ZINC000036660527 205019831 /nfs/dbraw/zinc/01/98/31/205019831.db2.gz PCXAJLABJWVAHL-UHFFFAOYSA-N 0 0 394.435 2.904 50 5 GFBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1ccoc1 ZINC000048262999 205117164 /nfs/dbraw/zinc/11/71/64/205117164.db2.gz QASBBZZDCCLGLY-OAHLLOKOSA-N 0 0 379.800 2.912 50 5 GFBARN O=C(NCc1ccnc(N2CCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000048290652 205118030 /nfs/dbraw/zinc/11/80/30/205118030.db2.gz FMKQGVIVABHGFD-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)nc1 ZINC000052449979 205133578 /nfs/dbraw/zinc/13/35/78/205133578.db2.gz UGKQGFZIVJCXLG-CQSZACIVSA-N 0 0 380.408 2.801 50 5 GFBARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000056677350 205151717 /nfs/dbraw/zinc/15/17/17/205151717.db2.gz GWVWKXMGJNTFCZ-UHFFFAOYSA-N 0 0 378.385 2.785 50 5 GFBARN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000067828988 205261918 /nfs/dbraw/zinc/26/19/18/205261918.db2.gz UQBVHKNCXQCMMN-ORAYPTAESA-N 0 0 384.388 2.968 50 5 GFBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)s1 ZINC000095455268 205460304 /nfs/dbraw/zinc/46/03/04/205460304.db2.gz CEYOVRCYCCIRFS-NSHDSACASA-N 0 0 376.843 2.859 50 5 GFBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccccc4Cl)C3=C2O)cc1[N+](=O)[O-] ZINC000103556184 205815900 /nfs/dbraw/zinc/81/59/00/205815900.db2.gz PYAHTQSMBFCJQY-GDBMZVCRSA-N 0 0 385.763 2.849 50 5 GFBARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007986461 205793562 /nfs/dbraw/zinc/79/35/62/205793562.db2.gz QPHDMXOYPDZXOF-GMMCIKNFSA-N 0 0 384.388 2.865 50 5 GFBARN COC[C@@H](C)NS(=O)(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000033012172 206096967 /nfs/dbraw/zinc/09/69/67/206096967.db2.gz VDMCHEAOSVHYQO-CQSZACIVSA-N 0 0 393.465 2.563 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032753810 206093890 /nfs/dbraw/zinc/09/38/90/206093890.db2.gz CCPXGSTYXMLIEG-UHFFFAOYSA-N 0 0 387.823 2.775 50 5 GFBARN CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079017449 136172907 /nfs/dbraw/zinc/17/29/07/136172907.db2.gz SHJBOBIWNCRREH-LBPRGKRZSA-N 0 0 395.403 2.912 50 5 GFBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000004120572 136196635 /nfs/dbraw/zinc/19/66/35/136196635.db2.gz FCKJMDRNWRBRKT-UHFFFAOYSA-N 0 0 382.420 2.906 50 5 GFBARN COc1ccccc1CN(C)C(=O)Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000048312286 570233019 /nfs/dbraw/zinc/23/30/19/570233019.db2.gz AEHLLCJZYASMJO-UHFFFAOYSA-N 0 0 397.229 2.529 50 5 GFBARN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000000725299 570306635 /nfs/dbraw/zinc/30/66/35/570306635.db2.gz GBARESMQFRPCEK-UHFFFAOYSA-N 0 0 375.333 2.660 50 5 GFBARN COc1ccc(CCOC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000016319189 570324816 /nfs/dbraw/zinc/32/48/16/570324816.db2.gz GWYBORFDYZWQRN-UHFFFAOYSA-N 0 0 386.404 2.840 50 5 GFBARN Cc1ccc([C@@](O)(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000023080926 570343413 /nfs/dbraw/zinc/34/34/13/570343413.db2.gz KVSAKWNHJVQQMC-HNNXBMFYSA-N 0 0 387.314 2.847 50 5 GFBARN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000248083361 570438458 /nfs/dbraw/zinc/43/84/58/570438458.db2.gz QTUOGDWWOJNWCL-NVXWUHKLSA-N 0 0 387.461 2.900 50 5 GFBARN CC[C@@H]1CCc2c(sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C(=O)OC)C1 ZINC000000908848 570724223 /nfs/dbraw/zinc/72/42/23/570724223.db2.gz SKZGKANLECYVPP-SNVBAGLBSA-N 0 0 392.437 2.793 50 5 GFBARN COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c(OC)c1OC ZINC000000994319 570742116 /nfs/dbraw/zinc/74/21/16/570742116.db2.gz VPNOPVRZNGIKRR-UVTDQMKNSA-N 0 0 384.344 2.965 50 5 GFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000001071441 570749105 /nfs/dbraw/zinc/74/91/05/570749105.db2.gz QIDAGDUQKLNTTQ-UHFFFAOYSA-N 0 0 392.778 2.776 50 5 GFBARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccn1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001132254 570756314 /nfs/dbraw/zinc/75/63/14/570756314.db2.gz PUXTWGXQYOOUKW-XLLHFJCQSA-N 0 0 397.390 2.867 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001137764 570756897 /nfs/dbraw/zinc/75/68/97/570756897.db2.gz QEFOXHSEMAXSSN-UHFFFAOYSA-N 0 0 377.422 2.924 50 5 GFBARN COC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc([N+](=O)[O-])c1 ZINC000001180850 570790886 /nfs/dbraw/zinc/79/08/86/570790886.db2.gz XDUJOGYGXAOYKO-UHFFFAOYSA-N 0 0 397.431 2.961 50 5 GFBARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001190493 570792275 /nfs/dbraw/zinc/79/22/75/570792275.db2.gz DUSAGORBEMCOHI-SFHVURJKSA-N 0 0 397.387 2.975 50 5 GFBARN O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000032753990 570796971 /nfs/dbraw/zinc/79/69/71/570796971.db2.gz IPAZSOAJCZSRML-UHFFFAOYSA-N 0 0 398.448 2.839 50 5 GFBARN COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000032796333 570818304 /nfs/dbraw/zinc/81/83/04/570818304.db2.gz UZEVBCSZDXENAU-ZDUSSCGKSA-N 0 0 399.403 2.912 50 5 GFBARN C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000170596237 570854358 /nfs/dbraw/zinc/85/43/58/570854358.db2.gz YLIRTIQFPZSFSF-MRXNPFEDSA-N 0 0 379.756 2.794 50 5 GFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012588855 570883322 /nfs/dbraw/zinc/88/33/22/570883322.db2.gz CXAPLKYUQZAGRY-KRWDZBQOSA-N 0 0 385.420 2.995 50 5 GFBARN COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O ZINC000097966161 570893240 /nfs/dbraw/zinc/89/32/40/570893240.db2.gz QYBSQGCHCHMSIZ-UHFFFAOYSA-N 0 0 387.436 2.635 50 5 GFBARN COCCNc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000014484251 570905668 /nfs/dbraw/zinc/90/56/68/570905668.db2.gz STKBPAHGRDSLJI-GFCCVEGCSA-N 0 0 387.392 2.873 50 5 GFBARN COc1ccc(CC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1F ZINC000016143928 570914923 /nfs/dbraw/zinc/91/49/23/570914923.db2.gz XTGGTRWXBYPVPS-UHFFFAOYSA-N 0 0 392.383 2.661 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000023196072 570946151 /nfs/dbraw/zinc/94/61/51/570946151.db2.gz UJMLTOXSMKCZSF-RLCCDNCMSA-N 0 0 397.859 2.686 50 5 GFBARN Cc1cccc(NC(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000047252054 570950015 /nfs/dbraw/zinc/95/00/15/570950015.db2.gz JSEAKRFQEMRFPG-UHFFFAOYSA-N 0 0 394.435 2.956 50 5 GFBARN O=C1CCc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Cl)ccc2N1 ZINC000025873925 570981995 /nfs/dbraw/zinc/98/19/95/570981995.db2.gz DDKMIZPDPGMFNC-UHFFFAOYSA-N 0 0 382.781 2.901 50 5 GFBARN CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000229716781 571029914 /nfs/dbraw/zinc/02/99/14/571029914.db2.gz CCARUKSCKPYHRS-NUTKFTJISA-N 0 0 375.425 2.973 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 ZINC000000950591 203867996 /nfs/dbraw/zinc/86/79/96/203867996.db2.gz ISALVEKDRGUAQE-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN CCOC(=O)CSc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000003019998 203981757 /nfs/dbraw/zinc/98/17/57/203981757.db2.gz LOLBXLBAOYBTMT-UHFFFAOYSA-N 0 0 375.406 2.575 50 5 GFBARN COC(=O)c1cc(C(=O)OCC(=O)NCCC2=CCCCC2)cc([N+](=O)[O-])c1 ZINC000003416310 204005807 /nfs/dbraw/zinc/00/58/07/204005807.db2.gz IHRARRVHUOQMJN-UHFFFAOYSA-N 0 0 390.392 2.545 50 5 GFBARN CCOC(=O)C(C(=O)OCC)(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003845127 204020337 /nfs/dbraw/zinc/02/03/37/204020337.db2.gz VENGQILBULRTHN-UHFFFAOYSA-N 0 0 385.372 2.842 50 5 GFBARN COC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000004054073 204024817 /nfs/dbraw/zinc/02/48/17/204024817.db2.gz ICUZQDCBDYFMCN-UHFFFAOYSA-N 0 0 386.364 2.616 50 5 GFBARN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004182176 204031603 /nfs/dbraw/zinc/03/16/03/204031603.db2.gz SIJLUJCQLNVFPO-UHFFFAOYSA-N 0 0 392.318 2.744 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004724051 204069221 /nfs/dbraw/zinc/06/92/21/204069221.db2.gz BDDQMCQKUFJMLS-GOSISDBHSA-N 0 0 390.403 2.792 50 5 GFBARN COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004749658 204072903 /nfs/dbraw/zinc/07/29/03/204072903.db2.gz IHNUDHLIMSLRBG-OAHLLOKOSA-N 0 0 385.420 2.720 50 5 GFBARN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=C(CCO)[P@@]1(=O)OCC ZINC000004877742 204085830 /nfs/dbraw/zinc/08/58/30/204085830.db2.gz CHCQSCFJKZIEQP-HHHXNRCGSA-N 0 0 397.324 2.830 50 5 GFBARN CCOC(=O)Cn1c2ccccc2nc(-c2cc([N+](=O)[O-])ccc2NC)c1=O ZINC000004427832 204044760 /nfs/dbraw/zinc/04/47/60/204044760.db2.gz YFCIWBTWKKIUPT-UHFFFAOYSA-N 0 0 382.376 2.577 50 5 GFBARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004918809 204091157 /nfs/dbraw/zinc/09/11/57/204091157.db2.gz JEDLIXQUOPUWGC-UHFFFAOYSA-N 0 0 392.389 2.570 50 5 GFBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(=O)nc3[nH]c4ccccc4n3c2N1 ZINC000004624387 204058038 /nfs/dbraw/zinc/05/80/38/204058038.db2.gz LZBSHLXLPNCTMF-LBPRGKRZSA-N 0 0 375.344 2.970 50 5 GFBARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000005955337 204159234 /nfs/dbraw/zinc/15/92/34/204159234.db2.gz JLZOTRINRSGRLQ-UHFFFAOYSA-N 0 0 379.394 2.615 50 5 GFBARN O=C(NCCOC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000005447435 204132928 /nfs/dbraw/zinc/13/29/28/204132928.db2.gz SBEVDLNOSQRAFC-UHFFFAOYSA-N 0 0 398.419 2.567 50 5 GFBARN CCn1cc(Br)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000005585611 204141670 /nfs/dbraw/zinc/14/16/70/204141670.db2.gz PEBQJQAMOBAXCQ-UHFFFAOYSA-N 0 0 398.242 2.701 50 5 GFBARN O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1cc([N+](=O)[O-])ccc1F ZINC000007384443 204240060 /nfs/dbraw/zinc/24/00/60/204240060.db2.gz BYGLDHGDCTZRJA-UHFFFAOYSA-N 0 0 388.380 2.633 50 5 GFBARN CNc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1[N+](=O)[O-] ZINC000008132787 204263375 /nfs/dbraw/zinc/26/33/75/204263375.db2.gz FHNIXBGWLGFPNM-UHFFFAOYSA-N 0 0 389.364 2.693 50 5 GFBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000009087575 204297973 /nfs/dbraw/zinc/29/79/73/204297973.db2.gz DWOWUBGTXLNIRC-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019773702 204683421 /nfs/dbraw/zinc/68/34/21/204683421.db2.gz PBBBQHMBFRMCQW-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN C[C@H]1CN(Cc2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)C[C@H](C)O1 ZINC000022299243 204778765 /nfs/dbraw/zinc/77/87/65/204778765.db2.gz MPKWTWMJONHUIO-RYUDHWBXSA-N 0 0 376.438 2.913 50 5 GFBARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000040130855 204878999 /nfs/dbraw/zinc/87/89/99/204878999.db2.gz YNHDGBKCXBAQDP-UHFFFAOYSA-N 0 0 375.381 2.904 50 5 GFBARN O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000046857053 205107594 /nfs/dbraw/zinc/10/75/94/205107594.db2.gz RBFGXFNFMSHKTK-WMLDXEAASA-N 0 0 376.409 2.698 50 5 GFBARN CCN(C(=O)CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000048717251 205123926 /nfs/dbraw/zinc/12/39/26/205123926.db2.gz RNSCWUSCOCEREY-UHFFFAOYSA-N 0 0 382.482 2.999 50 5 GFBARN CN(CC(=O)NC(=O)NC1CCCCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000057369370 205156623 /nfs/dbraw/zinc/15/66/23/205156623.db2.gz CEASSKHTCSTNGG-UHFFFAOYSA-N 0 0 382.848 2.839 50 5 GFBARN COc1ccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)c(OC)c1 ZINC000051317264 205131770 /nfs/dbraw/zinc/13/17/70/205131770.db2.gz MMGISCTUKOWIPE-UHFFFAOYSA-N 0 0 389.411 2.795 50 5 GFBARN CCN(CC)Cc1nnc2sc(COc3ccc(C)cc3[N+](=O)[O-])nn12 ZINC000071260565 205278658 /nfs/dbraw/zinc/27/86/58/205278658.db2.gz RPRFEXLLWKSFNK-UHFFFAOYSA-N 0 0 376.442 2.823 50 5 GFBARN COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000072313086 205323757 /nfs/dbraw/zinc/32/37/57/205323757.db2.gz MSGROXWXEUTWTR-GUYCJALGSA-N 0 0 392.433 2.732 50 5 GFBARN COc1ccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000072329383 205326542 /nfs/dbraw/zinc/32/65/42/205326542.db2.gz YILPIWSGACCZKV-UHFFFAOYSA-N 0 0 382.376 2.932 50 5 GFBARN CC(C)(O)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072304480 205321347 /nfs/dbraw/zinc/32/13/47/205321347.db2.gz HFRMBCLKBJPJTQ-UHFFFAOYSA-N 0 0 394.431 2.877 50 5 GFBARN CC(C)N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000102861362 205637270 /nfs/dbraw/zinc/63/72/70/205637270.db2.gz AKXLHONTKXYEAI-RCCFBDPRSA-N 0 0 381.388 2.850 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000845621 205697630 /nfs/dbraw/zinc/69/76/30/205697630.db2.gz DPUAIFOXNYNDNF-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cccc2ncccc21 ZINC000032904918 206096706 /nfs/dbraw/zinc/09/67/06/206096706.db2.gz PXLRBPRLWTVMDP-LLVKDONJSA-N 0 0 380.360 2.909 50 5 GFBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040133353 132398883 /nfs/dbraw/zinc/39/88/83/132398883.db2.gz LJZBKBTVTBTPOP-CQSZACIVSA-N 0 0 389.843 2.913 50 5 GFBARN COc1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000078903567 136172810 /nfs/dbraw/zinc/17/28/10/136172810.db2.gz BXBAYERUKCRXGA-UHFFFAOYSA-N 0 0 388.399 2.503 50 5 GFBARN COc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000024652221 570277397 /nfs/dbraw/zinc/27/73/97/570277397.db2.gz BJNOHZSSPBOKSQ-LBPRGKRZSA-N 0 0 388.376 2.524 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012917643 570293764 /nfs/dbraw/zinc/29/37/64/570293764.db2.gz NVNFYCRTXFJROQ-HNNXBMFYSA-N 0 0 383.404 2.851 50 5 GFBARN O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c2ccncc21 ZINC000023990063 570341182 /nfs/dbraw/zinc/34/11/82/570341182.db2.gz GRGRLZYVEACPSB-NRFANRHFSA-N 0 0 378.432 2.999 50 5 GFBARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000012982116 570407007 /nfs/dbraw/zinc/40/70/07/570407007.db2.gz DNIQVWWNMUZSJB-UHFFFAOYSA-N 0 0 392.433 2.667 50 5 GFBARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000012986427 570407250 /nfs/dbraw/zinc/40/72/50/570407250.db2.gz HJPUYGBKGPHFHN-AWEZNQCLSA-N 0 0 393.403 2.921 50 5 GFBARN Cc1ccc([C@H](C)NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1C ZINC000024220186 570480752 /nfs/dbraw/zinc/48/07/52/570480752.db2.gz AKYIMMUELJXMSB-HNNXBMFYSA-N 0 0 386.452 2.905 50 5 GFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025492881 570754346 /nfs/dbraw/zinc/75/43/46/570754346.db2.gz VPDGOHBNUUIDML-GFCCVEGCSA-N 0 0 380.412 2.737 50 5 GFBARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000001121943 570754761 /nfs/dbraw/zinc/75/47/61/570754761.db2.gz KUKFSSQJJIXQOC-FQEVSTJZSA-N 0 0 384.388 2.821 50 5 GFBARN CCOc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000024379699 570792577 /nfs/dbraw/zinc/79/25/77/570792577.db2.gz LVHVNEYVPDHCPJ-UHFFFAOYSA-N 0 0 399.447 2.756 50 5 GFBARN Cc1nn(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1[N+](=O)[O-] ZINC000032745179 570792627 /nfs/dbraw/zinc/79/26/27/570792627.db2.gz SOBCFTOVTYAKGU-UHFFFAOYSA-N 0 0 397.391 2.570 50 5 GFBARN CCc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000032801549 570820225 /nfs/dbraw/zinc/82/02/25/570820225.db2.gz SUCFOCFSQSGWBO-UHFFFAOYSA-N 0 0 392.375 2.765 50 5 GFBARN CC(C)c1nnc2n1CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)[C@H]2C ZINC000170603528 570862673 /nfs/dbraw/zinc/86/26/73/570862673.db2.gz KOFRIMHDNIXFTL-ZDUSSCGKSA-N 0 0 395.423 2.712 50 5 GFBARN COc1cccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3nnnn32)c1OC ZINC000102794643 570864378 /nfs/dbraw/zinc/86/43/78/570864378.db2.gz NWDDJCBSSHXUIQ-OAHLLOKOSA-N 0 0 380.364 2.655 50 5 GFBARN Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000089591386 570906863 /nfs/dbraw/zinc/90/68/63/570906863.db2.gz HQDVAUKSEGZPMX-UHFFFAOYSA-N 0 0 392.481 2.817 50 5 GFBARN C[C@H](OC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252452373 570958109 /nfs/dbraw/zinc/95/81/09/570958109.db2.gz FCYPCCQVBJCHFR-ARIJTYHRSA-N 0 0 396.827 2.829 50 5 GFBARN O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 ZINC000170642512 570963995 /nfs/dbraw/zinc/96/39/95/570963995.db2.gz GXJPBPBPASTTLC-UHFFFAOYSA-N 0 0 383.470 2.559 50 5 GFBARN C[C@H]1CCCN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC000045801758 570997027 /nfs/dbraw/zinc/99/70/27/570997027.db2.gz JJFBJFZCZGZOPX-HNNXBMFYSA-N 0 0 385.468 2.873 50 5 GFBARN CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000084761233 571036317 /nfs/dbraw/zinc/03/63/17/571036317.db2.gz KINZIMDZYRGHQO-UHFFFAOYSA-N 0 0 399.469 2.533 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 ZINC000000956262 203867582 /nfs/dbraw/zinc/86/75/82/203867582.db2.gz DJGWXIBGIWJUPJ-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN Cc1cc(NC(=O)CCCn2ccc([N+](=O)[O-])n2)n(Cc2ccc(F)cc2)n1 ZINC000001432096 203908834 /nfs/dbraw/zinc/90/88/34/203908834.db2.gz WDCALXKWGOLMQY-UHFFFAOYSA-N 0 0 386.387 2.903 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1c(F)cccc1Cl ZINC000002850575 203968784 /nfs/dbraw/zinc/96/87/84/203968784.db2.gz QZFDOOZXFIMKNS-UHFFFAOYSA-N 0 0 392.726 2.727 50 5 GFBARN COc1ccccc1N1CC2=C(C1=O)[C@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C ZINC000004784017 204076102 /nfs/dbraw/zinc/07/61/02/204076102.db2.gz BJRYDWOJJLEOGL-SFHVURJKSA-N 0 0 394.387 2.600 50 5 GFBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccc(Cl)cc3)[n+]2[O-])cc1 ZINC000004813627 204078242 /nfs/dbraw/zinc/07/82/42/204078242.db2.gz LNDSKDDVAYHLKC-UHFFFAOYSA-N 0 0 389.799 2.731 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000004455743 204046359 /nfs/dbraw/zinc/04/63/59/204046359.db2.gz RPUGIHOVUDERLG-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000004481797 204047125 /nfs/dbraw/zinc/04/71/25/204047125.db2.gz HMWNJXFYQNUSEX-UHFFFAOYSA-N 0 0 375.406 2.632 50 5 GFBARN CCOC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004670134 204062299 /nfs/dbraw/zinc/06/22/99/204062299.db2.gz BHWRNQZWLCUTSP-UHFFFAOYSA-N 0 0 392.433 2.739 50 5 GFBARN O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000004687405 204064355 /nfs/dbraw/zinc/06/43/55/204064355.db2.gz IYNYRODORPUQKD-UHFFFAOYSA-N 0 0 395.868 2.900 50 5 GFBARN CCc1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)cc1 ZINC000004686381 204064635 /nfs/dbraw/zinc/06/46/35/204064635.db2.gz PFZJWNFIIBSKIK-UHFFFAOYSA-N 0 0 381.388 2.794 50 5 aggregator GFBARN COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000005246120 204121951 /nfs/dbraw/zinc/12/19/51/204121951.db2.gz FEHMWJLVTBFGNU-OUCADQQQSA-N 0 0 394.424 2.852 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000005262077 204122423 /nfs/dbraw/zinc/12/24/23/204122423.db2.gz LCFUKOLKNULBDG-MRXNPFEDSA-N 0 0 398.463 2.748 50 5 GFBARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000005027800 204104994 /nfs/dbraw/zinc/10/49/94/204104994.db2.gz YKIDEZUEQMQDOE-UHFFFAOYSA-N 0 0 384.417 2.884 50 5 GFBARN CCOc1ccc(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005907780 204157862 /nfs/dbraw/zinc/15/78/62/204157862.db2.gz ZAOFFSPPVDWQPK-UHFFFAOYSA-N 0 0 385.405 2.944 50 5 GFBARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000005450882 204133114 /nfs/dbraw/zinc/13/31/14/204133114.db2.gz JZBRBCYWBWXVNK-GFCCVEGCSA-N 0 0 392.433 2.920 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000005500286 204135406 /nfs/dbraw/zinc/13/54/06/204135406.db2.gz MBTBTBVNWMKAEK-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 ZINC000006397734 204176792 /nfs/dbraw/zinc/17/67/92/204176792.db2.gz RWYSMFJULDFADJ-UHFFFAOYSA-N 0 0 388.449 2.828 50 5 GFBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(Br)s1 ZINC000006560255 204183803 /nfs/dbraw/zinc/18/38/03/204183803.db2.gz MTTITHTVQCJRPW-UHFFFAOYSA-N 0 0 386.183 2.609 50 5 GFBARN O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007907951 204253448 /nfs/dbraw/zinc/25/34/48/204253448.db2.gz YPLONFAVHHQUJT-UHFFFAOYSA-N 0 0 375.450 2.864 50 5 GFBARN COc1ccc(OC)c(Nc2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])c1 ZINC000009281683 204305535 /nfs/dbraw/zinc/30/55/35/204305535.db2.gz CERQKXHPAHSFOU-UHFFFAOYSA-N 0 0 386.368 2.933 50 5 GFBARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000014162051 204524730 /nfs/dbraw/zinc/52/47/30/204524730.db2.gz IYBYQKCTGQSPGI-UHFFFAOYSA-N 0 0 387.377 2.779 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000025325941 204833261 /nfs/dbraw/zinc/83/32/61/204833261.db2.gz FKCCSNZCWNHEGV-UHFFFAOYSA-N 0 0 389.839 2.971 50 5 GFBARN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040080672 205049925 /nfs/dbraw/zinc/04/99/25/205049925.db2.gz GLTMAGJSXLJUGG-UHFFFAOYSA-N 0 0 388.767 2.552 50 5 GFBARN O=C1OCC[C@H]1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000052936626 205134785 /nfs/dbraw/zinc/13/47/85/205134785.db2.gz XFFLRPSAFXWHRC-QGZVFWFLSA-N 0 0 387.461 2.756 50 5 GFBARN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000065513538 205235689 /nfs/dbraw/zinc/23/56/89/205235689.db2.gz QLCFUUUCDGKXNZ-BLLLJJGKSA-N 0 0 376.363 2.726 50 5 GFBARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072066990 205303263 /nfs/dbraw/zinc/30/32/63/205303263.db2.gz TXQLTOKJTJBYKG-UHFFFAOYSA-N 0 0 375.291 2.960 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005724368 205771253 /nfs/dbraw/zinc/77/12/53/205771253.db2.gz GJAIUJYNIRVHEA-UHFFFAOYSA-N 0 0 397.273 2.947 50 5 GFBARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1OC ZINC000013022509 205883818 /nfs/dbraw/zinc/88/38/18/205883818.db2.gz HDVRPKXEVNPZBD-ZDUSSCGKSA-N 0 0 399.403 2.912 50 5 GFBARN Cc1cc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000015091583 205899296 /nfs/dbraw/zinc/89/92/96/205899296.db2.gz LMDKKVCSBSCJBZ-UHFFFAOYSA-N 0 0 398.444 2.901 50 5 GFBARN C[C@@H]1CN(Cc2ccccn2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000225390728 206046252 /nfs/dbraw/zinc/04/62/52/206046252.db2.gz YFEGGCHKRPADTJ-OAHLLOKOSA-N 0 0 391.431 2.885 50 5 GFBARN O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000032005317 206088773 /nfs/dbraw/zinc/08/87/73/206088773.db2.gz GUZGEPFUUHLKKM-UHFFFAOYSA-N 0 0 379.420 2.753 50 5 GFBARN COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000033067600 206097214 /nfs/dbraw/zinc/09/72/14/206097214.db2.gz RSIHLHVMVSSGLB-UHFFFAOYSA-N 0 0 379.394 2.536 50 5 GFBARN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCCN(c2ncccn2)C1 ZINC000058230856 136155152 /nfs/dbraw/zinc/15/51/52/136155152.db2.gz UYXADVQUDGGLBZ-AWEZNQCLSA-N 0 0 393.407 2.630 50 5 GFBARN NC(=O)c1ccc(COC(=O)c2cc(Br)ccc2O)c([N+](=O)[O-])c1 ZINC000016749443 551112188 /nfs/dbraw/zinc/11/21/88/551112188.db2.gz DNQFSAMVVKMFCY-UHFFFAOYSA-N 0 0 395.165 2.519 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000048288709 570227915 /nfs/dbraw/zinc/22/79/15/570227915.db2.gz OQFFTTZOUQMRFJ-UHFFFAOYSA-N 0 0 379.413 2.875 50 5 GFBARN O=C(c1ccc(Br)o1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305812 570232298 /nfs/dbraw/zinc/23/22/98/570232298.db2.gz ABYHTNWWCQXSBK-UHFFFAOYSA-N 0 0 380.198 2.913 50 5 GFBARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000015816694 570264456 /nfs/dbraw/zinc/26/44/56/570264456.db2.gz BBVJFWCSIASLQW-KGLIPLIRSA-N 0 0 377.441 2.903 50 5 GFBARN CCOc1cc(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])ccc1O ZINC000100690585 570274932 /nfs/dbraw/zinc/27/49/32/570274932.db2.gz KPTZZFPZXDKZII-UHFFFAOYSA-N 0 0 388.383 2.907 50 5 GFBARN O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024647196 570276524 /nfs/dbraw/zinc/27/65/24/570276524.db2.gz FBIIFAROPRIPSD-ICSRJNTNSA-N 0 0 380.448 2.880 50 5 GFBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3ccccc3Cl)n12 ZINC000005066248 570409919 /nfs/dbraw/zinc/40/99/19/570409919.db2.gz HIKVWPFTHYPCDP-ZROIWOOFSA-N 0 0 384.804 2.927 50 5 GFBARN CCc1ccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1[N+](=O)[O-] ZINC000089286493 570439775 /nfs/dbraw/zinc/43/97/75/570439775.db2.gz HEOHJXNPBGWNKF-GOSISDBHSA-N 0 0 393.403 2.990 50 5 GFBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035870313 570468197 /nfs/dbraw/zinc/46/81/97/570468197.db2.gz KOXNEMYBQQKDFD-UYAOXDASSA-N 0 0 380.448 2.598 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270700 570546668 /nfs/dbraw/zinc/54/66/68/570546668.db2.gz WRKZHTORUPPSIT-UHFFFAOYSA-N 0 0 394.343 2.965 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc([N+](=O)[O-])c1 ZINC000025183760 570742082 /nfs/dbraw/zinc/74/20/82/570742082.db2.gz KJIWXNPXGSPIAM-UHFFFAOYSA-N 0 0 380.360 2.879 50 5 GFBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F ZINC000001023891 570746688 /nfs/dbraw/zinc/74/66/88/570746688.db2.gz DFYVUNHKGZMNFL-UHFFFAOYSA-N 0 0 399.281 2.991 50 5 GFBARN O=C(c1cccc(O)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@]1(O)C(F)(F)F ZINC000005671330 570796362 /nfs/dbraw/zinc/79/63/62/570796362.db2.gz LKHIEQVCUIMQSA-INIZCTEOSA-N 0 0 395.293 2.802 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000032769178 570803858 /nfs/dbraw/zinc/80/38/58/570803858.db2.gz MAXOPRYPCASHSV-UHFFFAOYSA-N 0 0 395.206 2.982 50 5 GFBARN CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCC)c1=N ZINC000101093807 570810278 /nfs/dbraw/zinc/81/02/78/570810278.db2.gz LWSMDPPBAPQIEO-UHFFFAOYSA-N 0 0 381.480 2.767 50 5 GFBARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004496306 570816862 /nfs/dbraw/zinc/81/68/62/570816862.db2.gz IFNFUHCVIHGTTA-UHFFFAOYSA-N 0 0 382.369 2.545 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000032808833 570823090 /nfs/dbraw/zinc/82/30/90/570823090.db2.gz LSWLEKZDVVAKPA-UHFFFAOYSA-N 0 0 396.403 2.724 50 5 GFBARN COc1ccc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012559518 570861412 /nfs/dbraw/zinc/86/14/12/570861412.db2.gz YGRWNVQPNCAXNN-QGZVFWFLSA-N 0 0 381.392 2.637 50 5 GFBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000012564281 570869423 /nfs/dbraw/zinc/86/94/23/570869423.db2.gz IVXYHZGGGZLSOF-AWEZNQCLSA-N 0 0 391.449 2.789 50 5 GFBARN Cc1cc([N+](=O)[O-])c(NCCOC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000104163159 570896639 /nfs/dbraw/zinc/89/66/39/570896639.db2.gz HPHCQMQIWSKJBU-UHFFFAOYSA-N 0 0 390.308 2.989 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000012748498 570993772 /nfs/dbraw/zinc/99/37/72/570993772.db2.gz OGHAKQUZSNVFCB-UHFFFAOYSA-N 0 0 388.811 2.560 50 5 GFBARN CC(=O)c1ccc(NCC[C@](O)(c2nccn2C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000045802392 570997108 /nfs/dbraw/zinc/99/71/08/570997108.db2.gz VMLBWYLLQLPMFP-HNNXBMFYSA-N 0 0 386.330 2.783 50 5 GFBARN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000012756302 571007010 /nfs/dbraw/zinc/00/70/10/571007010.db2.gz QCCGAVQXGQTWNJ-VXGBXAGGSA-N 0 0 376.438 2.913 50 5 GFBARN CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000012771399 571025587 /nfs/dbraw/zinc/02/55/87/571025587.db2.gz PJRRVNZYWGQITP-UHFFFAOYSA-N 0 0 396.447 2.536 50 5 GFBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)n1 ZINC000000656959 203845904 /nfs/dbraw/zinc/84/59/04/203845904.db2.gz IZOFESUTUUKKIN-UHFFFAOYSA-N 0 0 382.254 2.706 50 5 GFBARN NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000001891913 203921961 /nfs/dbraw/zinc/92/19/61/203921961.db2.gz MNELZAWJKMPZNV-UHFFFAOYSA-N 0 0 375.406 2.652 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000004873435 204083915 /nfs/dbraw/zinc/08/39/15/204083915.db2.gz XBVPFNAOUCLKHP-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN COc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004868074 204083995 /nfs/dbraw/zinc/08/39/95/204083995.db2.gz BCVNCRQCJLEGOW-UHFFFAOYSA-N 0 0 380.447 2.914 50 5 GFBARN COc1cc(NC(=O)COC(=O)CSc2ccncc2)c(C)cc1[N+](=O)[O-] ZINC000004871929 204084506 /nfs/dbraw/zinc/08/45/06/204084506.db2.gz FFKUJKFWJXKGKB-UHFFFAOYSA-N 0 0 391.405 2.581 50 5 GFBARN CCOc1ccccc1OC[C@H](O)CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004681025 204063086 /nfs/dbraw/zinc/06/30/86/204063086.db2.gz WYCUJRKSQFXOBK-MRXNPFEDSA-N 0 0 388.420 2.814 50 5 GFBARN Cc1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000005207062 204119613 /nfs/dbraw/zinc/11/96/13/204119613.db2.gz HSOALFDABXWVSI-UHFFFAOYSA-N 0 0 392.433 2.503 50 5 GFBARN C[C@@H]1CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005253083 204122374 /nfs/dbraw/zinc/12/23/74/204122374.db2.gz FNWFHUGYTWXRGK-GHMZBOCLSA-N 0 0 392.847 2.846 50 5 GFBARN CC(=O)c1ccc(N2C(=O)C[C@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1 ZINC000005324012 204125908 /nfs/dbraw/zinc/12/59/08/204125908.db2.gz QNUDNQCCSSIRRG-HXUWFJFHSA-N 0 0 393.355 2.624 50 5 GFBARN COc1ccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000005031818 204104574 /nfs/dbraw/zinc/10/45/74/204104574.db2.gz WXFZTSIXWZXQGC-CYBMUJFWSA-N 0 0 377.180 2.669 50 5 GFBARN COc1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054763 204107083 /nfs/dbraw/zinc/10/70/83/204107083.db2.gz ACHXTSTUCZDCCG-UHFFFAOYSA-N 0 0 395.371 2.646 50 5 GFBARN CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000005853695 204154363 /nfs/dbraw/zinc/15/43/63/204154363.db2.gz DVEGTCKOIINGDB-HXUWFJFHSA-N 0 0 397.387 2.819 50 5 GFBARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006047171 204162723 /nfs/dbraw/zinc/16/27/23/204162723.db2.gz ZRURNGZSXMKWQO-UHFFFAOYSA-N 0 0 391.405 2.801 50 5 GFBARN Cc1cccc(N2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)c1 ZINC000005422811 204130220 /nfs/dbraw/zinc/13/02/20/204130220.db2.gz HGQVSYTZYJKTMA-GOSISDBHSA-N 0 0 378.388 2.900 50 5 GFBARN C=CC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000005494963 204135804 /nfs/dbraw/zinc/13/58/04/204135804.db2.gz CBKSPBWYAXICIL-SNVBAGLBSA-N 0 0 397.671 2.880 50 5 GFBARN CC(C)CNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006833313 204214113 /nfs/dbraw/zinc/21/41/13/204214113.db2.gz WVZQNBMCQLJCDT-QGZVFWFLSA-N 0 0 389.452 2.868 50 5 GFBARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000006661909 204190515 /nfs/dbraw/zinc/19/05/15/204190515.db2.gz UZRGKCGQRAAZOL-GFCCVEGCSA-N 0 0 398.371 2.626 50 5 GFBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000006995394 204228503 /nfs/dbraw/zinc/22/85/03/204228503.db2.gz JZJJFSGAMSATBA-UHFFFAOYSA-N 0 0 376.438 2.978 50 5 GFBARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007363327 204239469 /nfs/dbraw/zinc/23/94/69/204239469.db2.gz JJKCUDHCQFKKAH-UHFFFAOYSA-N 0 0 389.389 2.934 50 5 GFBARN COc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000008753107 204288259 /nfs/dbraw/zinc/28/82/59/204288259.db2.gz HPDJTIIXPXPQHG-UHFFFAOYSA-N 0 0 391.767 2.621 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000008816587 204290733 /nfs/dbraw/zinc/29/07/33/204290733.db2.gz BLNUCRRVUOMXGC-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN C[C@H](C(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008984148 204295872 /nfs/dbraw/zinc/29/58/72/204295872.db2.gz UURISEOOVOLTLV-CYBMUJFWSA-N 0 0 394.474 2.666 50 5 GFBARN Cc1nc2ccccc2n1CCNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008135627 204263278 /nfs/dbraw/zinc/26/32/78/204263278.db2.gz PYORBIZIOASIPV-VOTSOKGWSA-N 0 0 394.387 2.811 50 5 GFBARN COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cn1 ZINC000008149261 204263417 /nfs/dbraw/zinc/26/34/17/204263417.db2.gz QTSLYTZUHRFWOL-UHFFFAOYSA-N 0 0 392.437 2.917 50 5 GFBARN Cc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000008404261 204275874 /nfs/dbraw/zinc/27/58/74/204275874.db2.gz WDYAPOBVYATRST-UHFFFAOYSA-N 0 0 380.404 2.934 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000008451569 204276661 /nfs/dbraw/zinc/27/66/61/204276661.db2.gz FKDOBFNVFZCXOA-UHFFFAOYSA-N 0 0 376.350 2.638 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000012375207 204402441 /nfs/dbraw/zinc/40/24/41/204402441.db2.gz QMQDPKDZZNQQHL-UHFFFAOYSA-N 0 0 382.741 2.717 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000012463790 204413260 /nfs/dbraw/zinc/41/32/60/204413260.db2.gz GPYKERXVRPIYND-BHTHQVBYSA-N 0 0 393.193 2.580 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012917638 204465472 /nfs/dbraw/zinc/46/54/72/204465472.db2.gz NVNFYCRTXFJROQ-OAHLLOKOSA-N 0 0 383.404 2.851 50 5 GFBARN Cc1nc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2 ZINC000018180731 204617556 /nfs/dbraw/zinc/61/75/56/204617556.db2.gz VKLVUOYTJOZIEC-MRXNPFEDSA-N 0 0 398.444 2.996 50 5 GFBARN NC(=O)c1ccc(COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c([N+](=O)[O-])c1 ZINC000040087951 205051572 /nfs/dbraw/zinc/05/15/72/205051572.db2.gz VANKWCNNDYNHLT-UHFFFAOYSA-N 0 0 384.323 2.580 50 5 GFBARN O=C(NCc1cccnc1-n1cncn1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000047123035 205110431 /nfs/dbraw/zinc/11/04/31/205110431.db2.gz VIVGXHNQSUADBW-UHFFFAOYSA-N 0 0 390.359 2.761 50 5 GFBARN O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000057165317 205155017 /nfs/dbraw/zinc/15/50/17/205155017.db2.gz GLYGZDCHGNCGRO-UHFFFAOYSA-N 0 0 397.460 2.965 50 5 GFBARN COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000072313084 205323457 /nfs/dbraw/zinc/32/34/57/205323457.db2.gz MSGROXWXEUTWTR-DYVFJYSZSA-N 0 0 392.433 2.732 50 5 GFBARN COc1ccc(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000007196873 205782720 /nfs/dbraw/zinc/78/27/20/205782720.db2.gz HYCCFQGJVJZHIB-UHFFFAOYSA-N 0 0 376.340 2.606 50 5 GFBARN CC(C)(C)c1csc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 ZINC000023137134 205974321 /nfs/dbraw/zinc/97/43/21/205974321.db2.gz NVQNNSWPARSRPZ-UHFFFAOYSA-N 0 0 378.454 2.900 50 5 GFBARN O=c1[nH]c(NCc2ccnc(OCC(F)(F)F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000225538439 206055317 /nfs/dbraw/zinc/05/53/17/206055317.db2.gz RCDMSZJAMZEVTR-UHFFFAOYSA-N 0 0 395.297 2.780 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000048299947 132431701 /nfs/dbraw/zinc/43/17/01/132431701.db2.gz RHXALKFIULGDQP-UHFFFAOYSA-N 0 0 397.431 2.709 50 5 GFBARN CC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 ZINC000005050397 136194495 /nfs/dbraw/zinc/19/44/95/136194495.db2.gz SOILFRHKZKUHRG-UHFFFAOYSA-N 0 0 398.438 2.965 50 5 GFBARN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(Cl)c1 ZINC000007950091 136195346 /nfs/dbraw/zinc/19/53/46/136195346.db2.gz GXSSWPQYDMCCQE-UHFFFAOYSA-N 0 0 379.731 2.751 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1cccnc1 ZINC000007239015 527339216 /nfs/dbraw/zinc/33/92/16/527339216.db2.gz JNBCSNFPPGKQFO-UHFFFAOYSA-N 0 0 376.438 2.777 50 5 GFBARN Nc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000020386880 570253697 /nfs/dbraw/zinc/25/36/97/570253697.db2.gz IZYSWWBCOARXAT-UHFFFAOYSA-N 0 0 390.447 2.879 50 5 GFBARN CCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O ZINC000100627816 570273634 /nfs/dbraw/zinc/27/36/34/570273634.db2.gz JIOVUPWOYJHFSN-UHFFFAOYSA-N 0 0 379.464 2.601 50 5 GFBARN C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)n1cncn1 ZINC000024706348 570279684 /nfs/dbraw/zinc/27/96/84/570279684.db2.gz QOGKKDHXLWZXRG-LBPRGKRZSA-N 0 0 380.364 2.638 50 5 GFBARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000014076255 570285853 /nfs/dbraw/zinc/28/58/53/570285853.db2.gz MBYHGOKLRUQPIT-OKILXGFUSA-N 0 0 390.484 2.787 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1N(C[C@H]1CO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000669921 570286328 /nfs/dbraw/zinc/28/63/28/570286328.db2.gz FOVYQDVVWAUMJS-AWEZNQCLSA-N 0 0 378.406 2.506 50 5 GFBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000001662836 570326396 /nfs/dbraw/zinc/32/63/96/570326396.db2.gz AIOZPDMZGCGPNG-UHFFFAOYSA-N 0 0 397.347 2.553 50 5 GFBARN COC(=O)c1ccc(OCC(=O)N(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000024937968 570362141 /nfs/dbraw/zinc/36/21/41/570362141.db2.gz WJYJZDNBOGPVBQ-UHFFFAOYSA-N 0 0 376.340 2.558 50 5 GFBARN Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3C(C)C)c(=O)n2c1 ZINC000100630617 570419710 /nfs/dbraw/zinc/41/97/10/570419710.db2.gz KGGPZLJOYBEJPR-UHFFFAOYSA-N 0 0 391.431 2.541 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248255193 570451625 /nfs/dbraw/zinc/45/16/25/570451625.db2.gz UJMLTOXSMKCZSF-XZJROXQQSA-N 0 0 397.859 2.686 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000845622 570459204 /nfs/dbraw/zinc/45/92/04/570459204.db2.gz ZUIIKXSJXVPQKJ-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN Cc1ccc([C@@H](C)NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1C ZINC000024220176 570480666 /nfs/dbraw/zinc/48/06/66/570480666.db2.gz AKYIMMUELJXMSB-OAHLLOKOSA-N 0 0 386.452 2.905 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000138277442 570518122 /nfs/dbraw/zinc/51/81/22/570518122.db2.gz RXNOHIQAEWJFEK-BDXSIMOUSA-N 0 0 389.367 2.916 50 5 GFBARN COC(=O)c1cccc2c3c([nH]c21)CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C3 ZINC000025577842 570791772 /nfs/dbraw/zinc/79/17/72/570791772.db2.gz LYAQNCXWLAGQDT-UHFFFAOYSA-N 0 0 394.387 2.524 50 5 GFBARN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000025576223 570792118 /nfs/dbraw/zinc/79/21/18/570792118.db2.gz OAOSDTDGBJUYMR-HNNXBMFYSA-N 0 0 394.435 2.847 50 5 GFBARN O=C(NCCCOc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032803455 570822048 /nfs/dbraw/zinc/82/20/48/570822048.db2.gz QMYOBASLEJIGTF-UHFFFAOYSA-N 0 0 384.436 2.896 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102440265 570849191 /nfs/dbraw/zinc/84/91/91/570849191.db2.gz MVDLZRRQVPYMOI-TXEJJXNPSA-N 0 0 379.800 2.752 50 5 GFBARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000016806685 570910706 /nfs/dbraw/zinc/91/07/06/570910706.db2.gz IRYGIFCRTJSGJM-UHFFFAOYSA-N 0 0 398.828 2.783 50 5 GFBARN Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000015410276 570934020 /nfs/dbraw/zinc/93/40/20/570934020.db2.gz KZTBTRCGGKUNHL-ZRDIBKRKSA-N 0 0 389.433 2.822 50 5 GFBARN Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(N)cc1 ZINC000002159172 570972670 /nfs/dbraw/zinc/97/26/70/570972670.db2.gz BUIZYWUZRRANGU-UHFFFAOYSA-N 0 0 384.421 2.703 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000012760341 571010944 /nfs/dbraw/zinc/01/09/44/571010944.db2.gz NPSZGUCYHZGSBR-UHFFFAOYSA-N 0 0 399.451 2.930 50 5 GFBARN O=C([C@H]1CCCN(c2ncnc3cc4ccccc4cc32)C1)N1CCOCC1 ZINC000084606383 571026015 /nfs/dbraw/zinc/02/60/15/571026015.db2.gz GQNIPZSUGZHPRV-SFHVURJKSA-N 0 0 376.460 2.858 50 5 GFBARN C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(=O)Nc1nccs1 ZINC000002838868 203966931 /nfs/dbraw/zinc/96/69/31/203966931.db2.gz YIKXBXSRRLVAJU-SECBINFHSA-N 0 0 390.450 2.966 50 5 GFBARN CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000002854677 203968127 /nfs/dbraw/zinc/96/81/27/203968127.db2.gz PGJVVAKFMYQFEG-UHFFFAOYSA-N 0 0 391.449 2.870 50 5 GFBARN CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000003019660 203981130 /nfs/dbraw/zinc/98/11/30/203981130.db2.gz OUOBNRXOSUCLRE-UHFFFAOYSA-N 0 0 378.406 2.576 50 5 GFBARN C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003418895 204005891 /nfs/dbraw/zinc/00/58/91/204005891.db2.gz NKKPKLFGSWHKAS-SNVBAGLBSA-N 0 0 378.768 2.925 50 5 GFBARN COc1cc(C(=O)OCC(=O)NC2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000003450145 204007591 /nfs/dbraw/zinc/00/75/91/204007591.db2.gz YQRKKBNQCBZEAM-UHFFFAOYSA-N 0 0 380.397 2.608 50 5 GFBARN O=[N+]([O-])c1ccccc1OCCOCCOCCOc1ccccc1[N+](=O)[O-] ZINC000003844449 204020224 /nfs/dbraw/zinc/02/02/24/204020224.db2.gz GOMAIPVDHSKHBG-UHFFFAOYSA-N 0 0 392.364 2.994 50 5 GFBARN CC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003878115 204021249 /nfs/dbraw/zinc/02/12/49/204021249.db2.gz DYMLKNCJEMMPPO-SECBINFHSA-N 0 0 385.660 2.714 50 5 GFBARN Cn1cc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 ZINC000004192727 204031225 /nfs/dbraw/zinc/03/12/25/204031225.db2.gz GXAYZVJDRPOVPX-UHFFFAOYSA-N 0 0 378.432 2.978 50 5 GFBARN O=c1nc2ccccn2c2cc(Cl)c(S(=O)(=O)N3CCCCC3)cc12 ZINC000004708602 204066211 /nfs/dbraw/zinc/06/62/11/204066211.db2.gz CECJOIUCBURSFM-UHFFFAOYSA-N 0 0 377.853 2.676 50 5 GFBARN O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1ccccc1 ZINC000004871763 204084150 /nfs/dbraw/zinc/08/41/50/204084150.db2.gz NXPPIEISOWREPS-UHFFFAOYSA-N 0 0 389.367 2.839 50 5 GFBARN COc1ccc(CCN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000005120681 204111871 /nfs/dbraw/zinc/11/18/71/204111871.db2.gz AVYWVRDDTMYYSG-UHFFFAOYSA-N 0 0 394.449 2.784 50 5 GFBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C[C@@H](C)O1 ZINC000005033294 204104900 /nfs/dbraw/zinc/10/49/00/204104900.db2.gz FTLBRRQPZNUGAT-NXEZZACHSA-N 0 0 378.820 2.978 50 5 GFBARN C[C@@H](Sc1ccsc1[N+](=O)[O-])C(=O)N1CCN(c2ccccn2)CC1 ZINC000005035977 204105886 /nfs/dbraw/zinc/10/58/86/204105886.db2.gz UFAFQWRIFDXLTF-GFCCVEGCSA-N 0 0 378.479 2.881 50 5 GFBARN CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005041634 204105954 /nfs/dbraw/zinc/10/59/54/204105954.db2.gz ZPANNEWOFXCBIK-UHFFFAOYSA-N 0 0 380.451 2.702 50 5 GFBARN O=C(COc1ccc2c(c1)CCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000005934874 204157592 /nfs/dbraw/zinc/15/75/92/204157592.db2.gz DCMUOZTYXXSIRN-UHFFFAOYSA-N 0 0 381.432 2.811 50 5 GFBARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006052541 204162741 /nfs/dbraw/zinc/16/27/41/204162741.db2.gz NLMJUQLACJOGTP-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN CCOc1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c([N+](=O)[O-])c1 ZINC000005584743 204142142 /nfs/dbraw/zinc/14/21/42/204142142.db2.gz LPRQOGCKVPAJAY-UHFFFAOYSA-N 0 0 397.844 2.816 50 5 aggregator GFBARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006262653 204172818 /nfs/dbraw/zinc/17/28/18/204172818.db2.gz TYVNUTQTQXSLEG-QMMMGPOBSA-N 0 0 391.453 2.882 50 5 GFBARN CCN1CCN(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 ZINC000006603933 204185840 /nfs/dbraw/zinc/18/58/40/204185840.db2.gz OIGUYEHBBUUSLH-UHFFFAOYSA-N 0 0 394.435 2.865 50 5 GFBARN CC(C)[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000006669658 204190427 /nfs/dbraw/zinc/19/04/27/204190427.db2.gz VJFPYLLYBVDDBC-SFHVURJKSA-N 0 0 382.372 2.864 50 5 GFBARN NC(=O)c1ccc(SCC(=O)N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000006882226 204220691 /nfs/dbraw/zinc/22/06/91/204220691.db2.gz QAQYQQPFNUBJML-OAHLLOKOSA-N 0 0 385.445 2.980 50 5 GFBARN COCCN(CCOC)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000006910268 204222949 /nfs/dbraw/zinc/22/29/49/204222949.db2.gz OHRJSYOWRIOCHZ-UHFFFAOYSA-N 0 0 379.457 2.566 50 5 GFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000007257730 204237011 /nfs/dbraw/zinc/23/70/11/204237011.db2.gz XDCJKZGQBXCUBM-UHFFFAOYSA-N 0 0 382.420 2.718 50 5 GFBARN CC(=O)Nc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000008661079 204283778 /nfs/dbraw/zinc/28/37/78/204283778.db2.gz VKTZQGNPIUCLOL-UHFFFAOYSA-N 0 0 398.379 2.670 50 5 GFBARN C[C@@H](NC(=O)c1cc2nc(-c3nn(C)cc3[N+](=O)[O-])ccn2n1)c1ccccc1 ZINC000008782655 204290545 /nfs/dbraw/zinc/29/05/45/204290545.db2.gz ZOKOYRLUDRSAEC-GFCCVEGCSA-N 0 0 391.391 2.529 50 5 GFBARN CN(CCc1ccccn1)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000008148703 204262991 /nfs/dbraw/zinc/26/29/91/204262991.db2.gz RBJBKVIZXPAHNA-UHFFFAOYSA-N 0 0 392.481 2.746 50 5 GFBARN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009388334 204310471 /nfs/dbraw/zinc/31/04/71/204310471.db2.gz ZDGPPECUHBGJEV-SECBINFHSA-N 0 0 391.767 2.734 50 5 GFBARN C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000036398408 204319742 /nfs/dbraw/zinc/31/97/42/204319742.db2.gz ZDORLNAAFGIOJF-NSHDSACASA-N 0 0 378.410 2.849 50 5 GFBARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000010749451 204338674 /nfs/dbraw/zinc/33/86/74/204338674.db2.gz WVLHOOPLKSQYMK-UHFFFAOYSA-N 0 0 398.824 2.856 50 5 GFBARN Cc1nnc(Sc2cc(-n3cnnn3)c(C)cc2[N+](=O)[O-])n1-c1ccccc1 ZINC000012445242 204412250 /nfs/dbraw/zinc/41/22/50/204412250.db2.gz KMRISBNWJXGJHP-UHFFFAOYSA-N 0 0 394.420 2.919 50 5 GFBARN CC1CCN(S(=O)(=O)c2ccc(NCC[C@@H]3CCCO3)c([N+](=O)[O-])c2)CC1 ZINC000012562056 204424290 /nfs/dbraw/zinc/42/42/90/204424290.db2.gz BLYBWPYQCAZTJM-HNNXBMFYSA-N 0 0 397.497 2.996 50 5 GFBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1Cc1ccccn1 ZINC000036125587 205007241 /nfs/dbraw/zinc/00/72/41/205007241.db2.gz PCDNBWHNOOGIPM-UHFFFAOYSA-N 0 0 381.395 2.539 50 5 GFBARN CCN1CCN(C(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c32)CC1 ZINC000036618321 205018648 /nfs/dbraw/zinc/01/86/48/205018648.db2.gz PQORKUNGMHPETA-UHFFFAOYSA-N 0 0 395.419 2.884 50 5 GFBARN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000040024129 205047314 /nfs/dbraw/zinc/04/73/14/205047314.db2.gz YZZWMAQXEJHMBE-CYBMUJFWSA-N 0 0 386.408 2.838 50 5 GFBARN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000040083066 205049651 /nfs/dbraw/zinc/04/96/51/205049651.db2.gz PTBNOZNIBDVKDH-UHFFFAOYSA-N 0 0 381.348 2.546 50 5 GFBARN Cc1nc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CCCCC2)no1 ZINC000046800163 205108339 /nfs/dbraw/zinc/10/83/39/205108339.db2.gz RULUXICIRUYFMJ-UHFFFAOYSA-N 0 0 380.426 2.733 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000046739109 205108924 /nfs/dbraw/zinc/10/89/24/205108924.db2.gz QTJLLHGSMZSDSC-AWEZNQCLSA-N 0 0 389.452 2.714 50 5 GFBARN CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2cccc([N+](=O)[O-])c2)c1C ZINC000058209220 205168701 /nfs/dbraw/zinc/16/87/01/205168701.db2.gz YAKJTVSMYUWMJM-UHFFFAOYSA-N 0 0 378.454 2.629 50 5 GFBARN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](c2ccccc2)O1 ZINC000067828985 205263243 /nfs/dbraw/zinc/26/32/43/205263243.db2.gz UQBVHKNCXQCMMN-BFUOFWGJSA-N 0 0 384.388 2.968 50 5 GFBARN Cc1nn(C)c(NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000072289227 205320282 /nfs/dbraw/zinc/32/02/82/205320282.db2.gz OGOVYHJEFHIJTQ-RYUDHWBXSA-N 0 0 383.449 2.809 50 5 GFBARN COc1cc(CCNC(=O)COc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC ZINC000011081278 205864346 /nfs/dbraw/zinc/86/43/46/205864346.db2.gz IAIQXODQUFAORF-UHFFFAOYSA-N 0 0 388.420 2.967 50 5 GFBARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000023942972 205975270 /nfs/dbraw/zinc/97/52/70/205975270.db2.gz BDKJFAHOSZRKOX-CQSZACIVSA-N 0 0 399.403 2.512 50 5 GFBARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033413977 206098265 /nfs/dbraw/zinc/09/82/65/206098265.db2.gz MWPBSUKOPIFDQD-WAPJZHGLSA-N 0 0 381.388 2.686 50 5 GFBARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C=C2 ZINC000096232128 206121077 /nfs/dbraw/zinc/12/10/77/206121077.db2.gz UAYMUQCBOARWSK-UHFFFAOYSA-N 0 0 397.387 2.606 50 5 GFBARN O=C(c1ccncc1)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000089768253 136175617 /nfs/dbraw/zinc/17/56/17/136175617.db2.gz KDGNKGVVUUFFRE-UHFFFAOYSA-N 0 0 391.225 2.715 50 5 GFBARN CS(=O)(=O)c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000022530159 221561815 /nfs/dbraw/zinc/56/18/15/221561815.db2.gz VUKYGEQCCFCJPE-UHFFFAOYSA-N 0 0 376.419 2.935 50 5 GFBARN COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000024832074 221619524 /nfs/dbraw/zinc/61/95/24/221619524.db2.gz YYHXHADVLFZQSS-BJMVGYQFSA-N 0 0 395.415 2.601 50 5 GFBARN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCN1CCOCC1 ZINC000032803835 551131845 /nfs/dbraw/zinc/13/18/45/551131845.db2.gz DBENSUPJGMNKOU-UHFFFAOYSA-N 0 0 381.230 2.650 50 5 GFBARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000001467222 570232891 /nfs/dbraw/zinc/23/28/91/570232891.db2.gz FWYWMSAJUYAINL-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808036 570248796 /nfs/dbraw/zinc/24/87/96/570248796.db2.gz AXZHCJRDERESNG-VUCTXSBTSA-N 0 0 376.409 2.767 50 5 GFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000010532066 570261943 /nfs/dbraw/zinc/26/19/43/570261943.db2.gz PSPKFNKGVWRFKR-QWRGUYRKSA-N 0 0 375.356 2.739 50 5 GFBARN COc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000012916563 570292645 /nfs/dbraw/zinc/29/26/45/570292645.db2.gz HDZBWMYFWGGPDX-UHFFFAOYSA-N 0 0 383.404 2.510 50 5 GFBARN COc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCO3)c([N+](=O)[O-])cc1OC ZINC000026232643 570322641 /nfs/dbraw/zinc/32/26/41/570322641.db2.gz IJXKSPBHVWMPQB-UHFFFAOYSA-N 0 0 387.344 2.587 50 5 GFBARN N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 ZINC000100642209 570422665 /nfs/dbraw/zinc/42/26/65/570422665.db2.gz WSMRFHOWYRGFDM-UHFFFAOYSA-N 0 0 391.475 2.916 50 5 GFBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(F)c1 ZINC000006276497 570475420 /nfs/dbraw/zinc/47/54/20/570475420.db2.gz GBXBNKZEGRPDRM-UHFFFAOYSA-N 0 0 388.424 2.571 50 5 GFBARN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])n1 ZINC000025116558 570725100 /nfs/dbraw/zinc/72/51/00/570725100.db2.gz DSMPAESGXLXTJR-HNNXBMFYSA-N 0 0 399.403 2.812 50 5 GFBARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000000949454 570735525 /nfs/dbraw/zinc/73/55/25/570735525.db2.gz MYVZNKMVWOVWSN-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN CN(C)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007108212 570791275 /nfs/dbraw/zinc/79/12/75/570791275.db2.gz CLADGXVHQKVHKQ-UHFFFAOYSA-N 0 0 390.779 2.724 50 5 GFBARN O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018227928 570811343 /nfs/dbraw/zinc/81/13/43/570811343.db2.gz MXCFKHCIFMWZLC-STQMWFEESA-N 0 0 391.811 2.918 50 5 GFBARN CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CC(C)C)c1=N ZINC000101107393 570813252 /nfs/dbraw/zinc/81/32/52/570813252.db2.gz VPPBCBRNDZPIHS-UHFFFAOYSA-N 0 0 381.480 2.623 50 5 GFBARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102547785 570851228 /nfs/dbraw/zinc/85/12/28/570851228.db2.gz MXCFKHCIFMWZLC-CHWSQXEVSA-N 0 0 391.811 2.918 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016733900 570908363 /nfs/dbraw/zinc/90/83/63/570908363.db2.gz YPMMXAHAYNLXAE-GFCCVEGCSA-N 0 0 378.406 2.748 50 5 GFBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000017077707 570939402 /nfs/dbraw/zinc/93/94/02/570939402.db2.gz MAEHDERTKGEZJZ-UHFFFAOYSA-N 0 0 380.393 2.657 50 5 GFBARN CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)CC1 ZINC000047255278 570950967 /nfs/dbraw/zinc/95/09/67/570950967.db2.gz VIUAZOVXBQFXCY-UHFFFAOYSA-N 0 0 396.491 2.971 50 5 GFBARN Cc1cccc(CN2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000045797761 570997322 /nfs/dbraw/zinc/99/73/22/570997322.db2.gz NYKBLJUSHZHJCF-UHFFFAOYSA-N 0 0 389.477 2.551 50 5 GFBARN O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000001427239 571001659 /nfs/dbraw/zinc/00/16/59/571001659.db2.gz HCHHFQGGCLGOIX-LLVKDONJSA-N 0 0 381.296 2.871 50 5 GFBARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012777417 571031070 /nfs/dbraw/zinc/03/10/70/571031070.db2.gz UPNFLLMMOQVNEL-UHFFFAOYSA-N 0 0 377.422 2.747 50 5 GFBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCc1ccc2c(c1)OCO2 ZINC000032777243 230917525 /nfs/dbraw/zinc/91/75/25/230917525.db2.gz HPXBQXLIZRYBRP-UHFFFAOYSA-N 0 0 387.373 2.873 50 5 GFBARN Cc1cc(F)c(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000252494956 231041836 /nfs/dbraw/zinc/04/18/36/231041836.db2.gz OJBWEYHPJCGPJI-HNNXBMFYSA-N 0 0 390.371 2.948 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000009895381 203902176 /nfs/dbraw/zinc/90/21/76/203902176.db2.gz SJOFZOGCSHPILF-MRXNPFEDSA-N 0 0 383.404 2.697 50 5 GFBARN Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccccn1 ZINC000002654691 203954066 /nfs/dbraw/zinc/95/40/66/203954066.db2.gz AMAHSKRMNCEGJA-UHFFFAOYSA-N 0 0 385.405 2.944 50 5 GFBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003496276 204010557 /nfs/dbraw/zinc/01/05/57/204010557.db2.gz CKWWLDDLMUEWPK-VIFPVBQESA-N 0 0 378.362 2.612 50 5 GFBARN Cc1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000003573581 204014784 /nfs/dbraw/zinc/01/47/84/204014784.db2.gz BFMILVGPGGNOGP-UHFFFAOYSA-N 0 0 378.406 2.590 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000004053464 204024626 /nfs/dbraw/zinc/02/46/26/204024626.db2.gz JJWRKLDZDCNDKN-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN Cc1ccsc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004840114 204081157 /nfs/dbraw/zinc/08/11/57/204081157.db2.gz YYXIHAJBWYUHTG-HNNXBMFYSA-N 0 0 394.474 2.794 50 5 GFBARN CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 ZINC000004844098 204082175 /nfs/dbraw/zinc/08/21/75/204082175.db2.gz XMXSNOWAFIAWNH-WQRHYEAKSA-N 0 0 383.404 2.886 50 5 GFBARN COC(=O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@@](=O)Cc1ccccc1 ZINC000004536092 204051330 /nfs/dbraw/zinc/05/13/30/204051330.db2.gz HXKVVUZYQHXGEZ-AREMUKBSSA-N 0 0 378.362 2.526 50 5 GFBARN CC(C)CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004578402 204054812 /nfs/dbraw/zinc/05/48/12/204054812.db2.gz IPWZIFJGXISIOE-UHFFFAOYSA-N 0 0 391.449 2.562 50 5 GFBARN NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000004652692 204060039 /nfs/dbraw/zinc/06/00/39/204060039.db2.gz WZQXJZNBXCXYOU-ZROIWOOFSA-N 0 0 390.193 2.614 50 5 GFBARN CC(C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000004660064 204061054 /nfs/dbraw/zinc/06/10/54/204061054.db2.gz ROYVXNYEVJAOPS-ZBFHGGJFSA-N 0 0 396.447 2.518 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000005125731 204112391 /nfs/dbraw/zinc/11/23/91/204112391.db2.gz YCSLLJRFQZNIJZ-UHFFFAOYSA-N 0 0 395.375 2.929 50 5 GFBARN COC(=O)c1sc(N)c(C(=O)OC)c1COc1cc(F)ccc1[N+](=O)[O-] ZINC000005189390 204117663 /nfs/dbraw/zinc/11/76/63/204117663.db2.gz UKBOVRGMSOEIJY-UHFFFAOYSA-N 0 0 384.341 2.530 50 5 GFBARN O=C(Nc1ccccc1F)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054746 204107589 /nfs/dbraw/zinc/10/75/89/204107589.db2.gz COCIMIHZRBMZRM-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2)N1 ZINC000005063208 204108988 /nfs/dbraw/zinc/10/89/88/204108988.db2.gz XMVKAOBDRKZGMZ-AWEZNQCLSA-N 0 0 375.303 2.613 50 5 GFBARN COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000005637587 204144662 /nfs/dbraw/zinc/14/46/62/204144662.db2.gz LCKHVHBZZWVGMI-SFHVURJKSA-N 0 0 393.465 2.722 50 5 GFBARN CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006249287 204172495 /nfs/dbraw/zinc/17/24/95/204172495.db2.gz SQJHZALPRFMZCY-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN O=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NC1CCCCCC1 ZINC000008708180 204284969 /nfs/dbraw/zinc/28/49/69/204284969.db2.gz HXSSFVCFOYFJMS-UHFFFAOYSA-N 0 0 375.425 2.939 50 5 GFBARN C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000036398409 204319183 /nfs/dbraw/zinc/31/91/83/204319183.db2.gz ZDORLNAAFGIOJF-LLVKDONJSA-N 0 0 378.410 2.849 50 5 GFBARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000011528918 204346757 /nfs/dbraw/zinc/34/67/57/204346757.db2.gz NPNVSQXRYPDUDI-UHFFFAOYSA-N 0 0 377.784 2.876 50 5 GFBARN CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC000012528282 204418550 /nfs/dbraw/zinc/41/85/50/204418550.db2.gz OVYSOLYIYVSRRU-HNNXBMFYSA-N 0 0 397.497 2.775 50 5 GFBARN COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])c1 ZINC000012562117 204423195 /nfs/dbraw/zinc/42/31/95/204423195.db2.gz MXIZLLGWNLGVCS-LBPRGKRZSA-N 0 0 398.419 2.952 50 5 GFBARN Cn1c(=O)c2c(-c3ccccc3[N+](=O)[O-])cc(-c3cccs3)nc2n(C)c1=O ZINC000026503522 204844929 /nfs/dbraw/zinc/84/49/29/204844929.db2.gz DWSRGDZUIKSIPE-UHFFFAOYSA-N 0 0 394.412 2.936 50 5 GFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000024419094 204821964 /nfs/dbraw/zinc/82/19/64/204821964.db2.gz KKITZBRLVGVTRH-UHFFFAOYSA-N 0 0 388.767 2.655 50 5 GFBARN COc1ccc(CSCC(=O)Nc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000040079887 204869426 /nfs/dbraw/zinc/86/94/26/204869426.db2.gz SVKKTMWFPQLNPX-UHFFFAOYSA-N 0 0 390.421 2.966 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040039672 205046750 /nfs/dbraw/zinc/04/67/50/205046750.db2.gz FFEDSVGOBMJBOO-IBGZPJMESA-N 0 0 379.416 2.784 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000056138075 205151637 /nfs/dbraw/zinc/15/16/37/205151637.db2.gz MWSMAGMVFDQFNZ-IAGOWNOFSA-N 0 0 380.397 2.933 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(Cn2cccnc2=O)c1 ZINC000058307677 205171333 /nfs/dbraw/zinc/17/13/33/205171333.db2.gz OUEPJNVYSVJEEX-UHFFFAOYSA-N 0 0 380.360 2.730 50 5 GFBARN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068365669 205272458 /nfs/dbraw/zinc/27/24/58/205272458.db2.gz BSKKZHXAVCQDDH-WAVCKPEOSA-N 0 0 377.466 2.672 50 5 GFBARN O=c1nc2n(n1Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1cccc(Cl)c1)C2 ZINC000071282340 205279720 /nfs/dbraw/zinc/27/97/20/205279720.db2.gz BDHOQKMJHVOUPE-UHFFFAOYSA-N 0 0 385.767 2.643 50 5 GFBARN COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)c1 ZINC000023105962 205970553 /nfs/dbraw/zinc/97/05/53/205970553.db2.gz QJBMWEZHIQZBFP-FQEVSTJZSA-N 0 0 399.447 2.715 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040130822 132398551 /nfs/dbraw/zinc/39/85/51/132398551.db2.gz WHVLKZDMNWXPPS-NSHDSACASA-N 0 0 391.815 2.902 50 5 GFBARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057943074 136154281 /nfs/dbraw/zinc/15/42/81/136154281.db2.gz DQZKUGBIQIDMER-OAHLLOKOSA-N 0 0 396.447 2.947 50 5 GFBARN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000058230852 136155110 /nfs/dbraw/zinc/15/51/10/136155110.db2.gz UYXADVQUDGGLBZ-CQSZACIVSA-N 0 0 393.407 2.630 50 5 GFBARN O=C(c1ccc(F)cc1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000095468692 136179368 /nfs/dbraw/zinc/17/93/68/136179368.db2.gz XETLVGSZHNIKFC-UHFFFAOYSA-N 0 0 381.367 2.640 50 5 GFBARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000239358401 525212428 /nfs/dbraw/zinc/21/24/28/525212428.db2.gz NELMJURKBWYMHB-LEWSCRJBSA-N 0 0 391.811 2.748 50 5 GFBARN CCOc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OCC ZINC000001074862 551091707 /nfs/dbraw/zinc/09/17/07/551091707.db2.gz ZICZTLFBKFRORI-FZMZJTMJSA-N 0 0 387.230 2.843 50 5 GFBARN Cc1nc(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)c2)n[nH]1 ZINC000111573853 570217721 /nfs/dbraw/zinc/21/77/21/570217721.db2.gz BNBOJLMSWQMGBH-UHFFFAOYSA-N 0 0 390.359 2.782 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000048313280 570236982 /nfs/dbraw/zinc/23/69/82/570236982.db2.gz PUIGBNXERUCJMD-GFCCVEGCSA-N 0 0 377.422 2.913 50 5 GFBARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000656562 570280820 /nfs/dbraw/zinc/28/08/20/570280820.db2.gz MMCACBHXDQPNIA-UHFFFAOYSA-N 0 0 391.449 2.504 50 5 GFBARN COc1ccc(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000023393704 570322529 /nfs/dbraw/zinc/32/25/29/570322529.db2.gz YZZYAKOBUWHKIC-LLVKDONJSA-N 0 0 393.421 2.890 50 5 GFBARN CC[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000023748500 570332398 /nfs/dbraw/zinc/33/23/98/570332398.db2.gz LVYFMRZYOLSSQC-CQSZACIVSA-N 0 0 383.404 2.630 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)cc([N+](=O)[O-])c1 ZINC000023972090 570340712 /nfs/dbraw/zinc/34/07/12/570340712.db2.gz OWQGGQUCELUWKX-GFCCVEGCSA-N 0 0 386.360 2.874 50 5 GFBARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000837553 570380979 /nfs/dbraw/zinc/38/09/79/570380979.db2.gz JQWAQKBIEGZNFN-ZDUSSCGKSA-N 0 0 386.335 2.513 50 5 GFBARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000012986425 570407375 /nfs/dbraw/zinc/40/73/75/570407375.db2.gz HJPUYGBKGPHFHN-CQSZACIVSA-N 0 0 393.403 2.921 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000011777453 570434886 /nfs/dbraw/zinc/43/48/86/570434886.db2.gz BZOACEBJIWSEQT-LBPRGKRZSA-N 0 0 396.359 2.507 50 5 GFBARN O=C1[C@H]2CCC[C@@H]2N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072301661 570505413 /nfs/dbraw/zinc/50/54/13/570505413.db2.gz SQBHHMQZZPEULI-KBPBESRZSA-N 0 0 398.385 2.704 50 5 GFBARN Cn1c(CCNS(=O)(=O)c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 ZINC000013814431 570698682 /nfs/dbraw/zinc/69/86/82/570698682.db2.gz BEKDOHKIOIYTEI-UHFFFAOYSA-N 0 0 394.840 2.656 50 5 GFBARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C)c1 ZINC000027548221 570699736 /nfs/dbraw/zinc/69/97/36/570699736.db2.gz RFEATSAZYHGXQH-HNNXBMFYSA-N 0 0 375.450 2.803 50 5 GFBARN COc1ccccc1COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] ZINC000025202921 570740548 /nfs/dbraw/zinc/74/05/48/570740548.db2.gz KNMRWBPSXJOHCD-UHFFFAOYSA-N 0 0 377.349 2.986 50 5 GFBARN O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025240682 570743908 /nfs/dbraw/zinc/74/39/08/570743908.db2.gz YWYOPIQLDKGSQU-UHFFFAOYSA-N 0 0 379.372 2.939 50 5 GFBARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000001217546 570795589 /nfs/dbraw/zinc/79/55/89/570795589.db2.gz KXUSIJCDUDTBCE-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN Cn1cnnc1Sc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000005993698 570812641 /nfs/dbraw/zinc/81/26/41/570812641.db2.gz OSPIZTIWFQXRAZ-CYBMUJFWSA-N 0 0 376.394 2.543 50 5 GFBARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004517700 570834522 /nfs/dbraw/zinc/83/45/22/570834522.db2.gz VBSUOIYUFLVODT-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN COCCOc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000032831059 570844666 /nfs/dbraw/zinc/84/46/66/570844666.db2.gz ZZFOREFFMLDDFV-UHFFFAOYSA-N 0 0 384.385 2.868 50 5 GFBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)COCc1ccccc1Cl ZINC000032854212 570854957 /nfs/dbraw/zinc/85/49/57/570854957.db2.gz NOLNXEMKINGRIJ-CQSZACIVSA-N 0 0 389.795 2.536 50 5 GFBARN Cc1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c([N+](=O)[O-])cc1C ZINC000015587152 570898603 /nfs/dbraw/zinc/89/86/03/570898603.db2.gz XELPVMVZRJQFNU-UHFFFAOYSA-N 0 0 395.371 2.849 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000097163172 570901112 /nfs/dbraw/zinc/90/11/12/570901112.db2.gz SPIZKXDEVKFMRE-UHFFFAOYSA-N 0 0 388.380 2.623 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000023137278 570916477 /nfs/dbraw/zinc/91/64/77/570916477.db2.gz FAQRNEGJTVCRKT-UHFFFAOYSA-N 0 0 388.405 2.862 50 5 GFBARN O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000002150099 570967714 /nfs/dbraw/zinc/96/77/14/570967714.db2.gz MJAUFJFBKDJDFA-UHFFFAOYSA-N 0 0 393.403 2.864 50 5 GFBARN Cc1c(NC(=O)C2CCCCC2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000001428415 570997035 /nfs/dbraw/zinc/99/70/35/570997035.db2.gz TZKNETCLYMWZMA-UHFFFAOYSA-N 0 0 375.425 2.894 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012763668 571014409 /nfs/dbraw/zinc/01/44/09/571014409.db2.gz LBNXDRCXXMREDQ-HNNXBMFYSA-N 0 0 383.404 2.851 50 5 GFBARN O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002765807 654437871 /nfs/dbraw/zinc/43/78/71/654437871.db2.gz ZVJVVJNOXPWIPV-UHFFFAOYSA-N 0 0 392.169 2.842 50 5 GFBARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000001145535 203889159 /nfs/dbraw/zinc/88/91/59/203889159.db2.gz SPGKYCDEGCDSEZ-UHFFFAOYSA-N 0 0 391.449 2.779 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000004184290 204031912 /nfs/dbraw/zinc/03/19/12/204031912.db2.gz KODYTBPRTZAVCG-UHFFFAOYSA-N 0 0 395.868 2.900 50 5 GFBARN O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12 ZINC000004709999 204066221 /nfs/dbraw/zinc/06/62/21/204066221.db2.gz AFOKSWUWEAIWPH-UHFFFAOYSA-N 0 0 377.425 2.599 50 5 GFBARN CN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004776452 204074998 /nfs/dbraw/zinc/07/49/98/204074998.db2.gz CVKHKNUHEUXHPC-GOSISDBHSA-N 0 0 378.388 2.587 50 5 GFBARN CC1=C[C@@](O)(C(F)(F)C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000004836934 204080795 /nfs/dbraw/zinc/08/07/95/204080795.db2.gz SYEPHZILOVPYAG-GFCCVEGCSA-N 0 0 381.257 2.632 50 5 GFBARN CC[C@H](C)NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004835435 204080852 /nfs/dbraw/zinc/08/08/52/204080852.db2.gz NRTRXJUJUGARHJ-AWEZNQCLSA-N 0 0 377.441 2.903 50 5 GFBARN C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@H](C)O1 ZINC000004844545 204081655 /nfs/dbraw/zinc/08/16/55/204081655.db2.gz XNLLJNVXSYYCJK-GJZGRUSLSA-N 0 0 397.497 2.773 50 5 GFBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)COc1ccc(F)cc1 ZINC000004917960 204090735 /nfs/dbraw/zinc/09/07/35/204090735.db2.gz HGCSKJPJJVNCTJ-ZDUSSCGKSA-N 0 0 391.374 2.989 50 5 GFBARN CCCCNC(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000004660426 204060204 /nfs/dbraw/zinc/06/02/04/204060204.db2.gz JZQSCTUOGWHWGJ-UHFFFAOYSA-N 0 0 383.452 2.846 50 5 GFBARN COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc([N+](=O)[O-])c3)oc21 ZINC000004676947 204062958 /nfs/dbraw/zinc/06/29/58/204062958.db2.gz DURQGIJIPZTCNR-VZCXRCSSSA-N 0 0 381.344 2.858 50 5 GFBARN O=C(CN1CCc2cc3c(cc2C1)OCCCO3)Nc1cccc([N+](=O)[O-])c1 ZINC000005348507 204126851 /nfs/dbraw/zinc/12/68/51/204126851.db2.gz DZTZJKAMSSPSIY-UHFFFAOYSA-N 0 0 383.404 2.753 50 5 GFBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004996661 204100791 /nfs/dbraw/zinc/10/07/91/204100791.db2.gz SLHHZLBTFUHVGW-UHFFFAOYSA-N 0 0 384.421 2.918 50 5 GFBARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCO)C3=O ZINC000005555851 204139751 /nfs/dbraw/zinc/13/97/51/204139751.db2.gz DMISVWJYILQPDD-GOSISDBHSA-N 0 0 394.383 2.937 50 5 GFBARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005556661 204140391 /nfs/dbraw/zinc/14/03/91/204140391.db2.gz BHVRKZOUHOFJHI-QGZVFWFLSA-N 0 0 380.356 2.893 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1sc(C)nc1C ZINC000006366575 204175753 /nfs/dbraw/zinc/17/57/53/204175753.db2.gz JDUQULVDTQSZFC-VIFPVBQESA-N 0 0 379.394 2.861 50 5 GFBARN CC(C)CNC(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006740907 204197968 /nfs/dbraw/zinc/19/79/68/204197968.db2.gz VXJLYSIOGVPEJY-JTQLQIEISA-N 0 0 391.346 2.729 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007976648 204256031 /nfs/dbraw/zinc/25/60/31/204256031.db2.gz MLBVPCPAFXDKKU-GOSISDBHSA-N 0 0 393.465 2.771 50 5 GFBARN CCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000008986046 204295727 /nfs/dbraw/zinc/29/57/27/204295727.db2.gz GYROTNMNQKUUCP-UHFFFAOYSA-N 0 0 394.409 2.626 50 5 GFBARN O=C(Cn1nnnc1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000008297671 204270833 /nfs/dbraw/zinc/27/08/33/204270833.db2.gz YJXDWDBDNRAKSS-UHFFFAOYSA-N 0 0 388.181 2.894 50 5 GFBARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000009698556 204320832 /nfs/dbraw/zinc/32/08/32/204320832.db2.gz ZPXFSHBATUBBEP-UHFFFAOYSA-N 0 0 389.433 2.634 50 5 GFBARN Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc([N+](=O)[O-])cc2)C3)cc1 ZINC000012447681 204410930 /nfs/dbraw/zinc/41/09/30/204410930.db2.gz KSILGLFOEUIHIV-SFHVURJKSA-N 0 0 378.388 2.900 50 5 GFBARN C[C@H]1CCCCN1C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000012537816 204419579 /nfs/dbraw/zinc/41/95/79/204419579.db2.gz WVQCDRYBOZVONV-AWEZNQCLSA-N 0 0 380.876 2.771 50 5 GFBARN CCCc1nc(Sc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000012857131 204456415 /nfs/dbraw/zinc/45/64/15/204456415.db2.gz VQXKCJABGHHQNK-UHFFFAOYSA-N 0 0 399.498 2.893 50 5 GFBARN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000012916935 204466239 /nfs/dbraw/zinc/46/62/39/204466239.db2.gz QXXJSEHTSYRQIS-UHFFFAOYSA-N 0 0 398.824 2.856 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000013153222 204483876 /nfs/dbraw/zinc/48/38/76/204483876.db2.gz BJJUETIRJVEVLQ-UHFFFAOYSA-N 0 0 384.352 2.612 50 5 GFBARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000018219745 204618169 /nfs/dbraw/zinc/61/81/69/204618169.db2.gz RQRDZWLYKSTGLC-UHFFFAOYSA-N 0 0 386.389 2.989 50 5 GFBARN C[C@H]1C(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1 ZINC000021267337 204755438 /nfs/dbraw/zinc/75/54/38/204755438.db2.gz JJUJLHLUTFSNRQ-NSHDSACASA-N 0 0 386.339 2.530 50 5 GFBARN COC[C@@H](C)Nc1nc(/C=C/c2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000038488515 204836475 /nfs/dbraw/zinc/83/64/75/204836475.db2.gz IPNABRWFLMLRSR-XVJNWHFHSA-N 0 0 399.451 2.839 50 5 GFBARN CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000033004120 204938227 /nfs/dbraw/zinc/93/82/27/204938227.db2.gz UMGKUTGINYZAFH-UHFFFAOYSA-N 0 0 392.422 2.790 50 5 GFBARN O=c1c2cc3c(ccn(-c4nc[nH]n4)c3=O)nc2ccn1CCC1=CCCCC1 ZINC000036360719 205014351 /nfs/dbraw/zinc/01/43/51/205014351.db2.gz RWOLHWKXJGEHHJ-UHFFFAOYSA-N 0 0 388.431 2.709 50 5 GFBARN COC(=O)c1ccc2c(c1)CCN2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000058392029 205174063 /nfs/dbraw/zinc/17/40/63/205174063.db2.gz IBFIPEDYYJNXSF-UHFFFAOYSA-N 0 0 379.372 2.925 50 5 GFBARN COc1ccc(-c2nn3c(=O)nc4ccc(Br)cc4c3[nH]c2=O)cc1 ZINC000071924187 205298532 /nfs/dbraw/zinc/29/85/32/205298532.db2.gz ZRTBGAPYDKSXOG-UHFFFAOYSA-N 0 0 399.204 2.781 50 5 GFBARN COc1ccc(OC)c(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000072329384 205325603 /nfs/dbraw/zinc/32/56/03/205325603.db2.gz PUHKZUDRRTUGRV-UHFFFAOYSA-N 0 0 382.376 2.932 50 5 GFBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NS(C)(=O)=O ZINC000033069785 206097027 /nfs/dbraw/zinc/09/70/27/206097027.db2.gz DDJXKGRLOXPSSL-UHFFFAOYSA-N 0 0 399.812 2.881 50 5 GFBARN Cc1ccc(C(=O)C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c(C)c1 ZINC000040083199 132394401 /nfs/dbraw/zinc/39/44/01/132394401.db2.gz DESLVVQQVBYVLQ-UHFFFAOYSA-N 0 0 382.420 2.805 50 5 GFBARN COCC(=O)N1CCCCC[C@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000069925141 136165256 /nfs/dbraw/zinc/16/52/56/136165256.db2.gz QUWBIUFCFMYCPY-INIZCTEOSA-N 0 0 376.457 2.624 50 5 GFBARN O=C(COC(=O)c1cncc(Br)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000003234966 551092237 /nfs/dbraw/zinc/09/22/37/551092237.db2.gz MPDAZKLVTGCBSV-UHFFFAOYSA-N 0 0 380.154 2.548 50 5 GFBARN CSc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000012818837 570232145 /nfs/dbraw/zinc/23/21/45/570232145.db2.gz HXKQFJHZKGQTOB-CHWSQXEVSA-N 0 0 381.498 2.934 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1N[C@H]1CC(=O)N(c2cccc(C(C)=O)c2)C1=O ZINC000101770425 570283380 /nfs/dbraw/zinc/28/33/80/570283380.db2.gz DICNHMYCXVRKSW-INIZCTEOSA-N 0 0 383.360 2.550 50 5 GFBARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000051527386 570287135 /nfs/dbraw/zinc/28/71/35/570287135.db2.gz GIHFWFZGPJMOTF-UHFFFAOYSA-N 0 0 395.824 2.694 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000026724443 570426921 /nfs/dbraw/zinc/42/69/21/570426921.db2.gz XHLOGRYXUVIFAC-UHFFFAOYSA-N 0 0 379.420 2.891 50 5 GFBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(/C=C/c3cccs3)nn12 ZINC000027022003 570495309 /nfs/dbraw/zinc/49/53/09/570495309.db2.gz CIEUXUCAEIIHCT-FAGQLRNJSA-N 0 0 382.426 2.839 50 5 GFBARN COc1cc(CCNC(=O)COc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000011081285 570507658 /nfs/dbraw/zinc/50/76/58/570507658.db2.gz BNEDRRVCNZFHNC-UHFFFAOYSA-N 0 0 388.420 2.967 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000005329215 570662051 /nfs/dbraw/zinc/66/20/51/570662051.db2.gz SCWZSMAINQFREN-UHFFFAOYSA-N 0 0 375.406 2.831 50 5 GFBARN CC1=Nc2nnnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000000950590 570736588 /nfs/dbraw/zinc/73/65/88/570736588.db2.gz BLNKMDCOXDUDLV-KRWDZBQOSA-N 0 0 392.375 2.614 50 5 GFBARN CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccco1 ZINC000100877322 570778459 /nfs/dbraw/zinc/77/84/59/570778459.db2.gz UTSSABUDNOEAMO-MSUUIHNZSA-N 0 0 375.362 2.508 50 5 GFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2ccccc2c1 ZINC000001208873 570793797 /nfs/dbraw/zinc/79/37/97/570793797.db2.gz PXPUWNUJICHJMS-UHFFFAOYSA-N 0 0 375.340 2.983 50 5 GFBARN COc1cccc(N2C[C@H](C(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2=O)c1 ZINC000032760650 570796053 /nfs/dbraw/zinc/79/60/53/570796053.db2.gz CJWXIFILONWWLM-CQSZACIVSA-N 0 0 381.388 2.546 50 5 GFBARN C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H](C)O1 ZINC000012485992 570821360 /nfs/dbraw/zinc/82/13/60/570821360.db2.gz GCJFXGFJIDTXJD-TXEJJXNPSA-N 0 0 376.438 2.766 50 5 GFBARN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000032803708 570822502 /nfs/dbraw/zinc/82/25/02/570822502.db2.gz SUAUHDJVPJWMQZ-UHFFFAOYSA-N 0 0 389.433 2.728 50 5 GFBARN CNC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012546048 570847016 /nfs/dbraw/zinc/84/70/16/570847016.db2.gz INBMRGUMKKVJCV-UHFFFAOYSA-N 0 0 399.450 2.831 50 5 GFBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000104254918 570899032 /nfs/dbraw/zinc/89/90/32/570899032.db2.gz NPSRBIIIGJCNPA-LBTNJELSSA-N 0 0 397.497 2.995 50 5 GFBARN O=[N+]([O-])c1cnc(NCCCc2nnc3n2CCCC3)c(Br)c1 ZINC000089764511 570912112 /nfs/dbraw/zinc/91/21/12/570912112.db2.gz DXYPKLXHSCNKLU-UHFFFAOYSA-N 0 0 381.234 2.725 50 5 GFBARN CN1CCN(c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3s2)CC1 ZINC000023135825 570916139 /nfs/dbraw/zinc/91/61/39/570916139.db2.gz PBJQVDTUYJBCQI-UHFFFAOYSA-N 0 0 387.421 2.802 50 5 GFBARN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2-n2cccn2)cc1OC ZINC000024589981 570926823 /nfs/dbraw/zinc/92/68/23/570926823.db2.gz XZSIMESLPNYINL-UHFFFAOYSA-N 0 0 397.391 2.513 50 5 GFBARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001782136 570932202 /nfs/dbraw/zinc/93/22/02/570932202.db2.gz SZUYXYUNNOAPMM-GOSISDBHSA-N 0 0 381.388 2.980 50 5 GFBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000672383 206316003 /nfs/dbraw/zinc/31/60/03/206316003.db2.gz CXJXHEQCCRRHQN-UHFFFAOYSA-N 0 0 375.406 2.632 50 5 GFBARN O=C(NC[C@H]1CCCO1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000000825064 206324991 /nfs/dbraw/zinc/32/49/91/206324991.db2.gz RITDKIGDDBYZOR-UIMCMNAESA-N 0 0 395.415 2.661 50 5 GFBARN COc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000001134009 206357287 /nfs/dbraw/zinc/35/72/87/206357287.db2.gz LUOGEDHUCAGCRK-INIZCTEOSA-N 0 0 388.420 2.732 50 5 GFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000001179595 206363780 /nfs/dbraw/zinc/36/37/80/206363780.db2.gz PYFVJHQJNRJCEV-UHFFFAOYSA-N 0 0 379.369 2.878 50 5 GFBARN COC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000003415549 206477992 /nfs/dbraw/zinc/47/79/92/206477992.db2.gz QYRMOUCAHPBHFB-LBPRGKRZSA-N 0 0 398.371 2.516 50 5 GFBARN Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1C(F)(F)F ZINC000003432068 206478984 /nfs/dbraw/zinc/47/89/84/206478984.db2.gz IVQHJOIZMBUJAJ-UHFFFAOYSA-N 0 0 376.316 2.901 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000004806408 206556351 /nfs/dbraw/zinc/55/63/51/206556351.db2.gz IOGZPHZPXLTBSS-UHFFFAOYSA-N 0 0 375.768 2.921 50 5 GFBARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000006947033 206696233 /nfs/dbraw/zinc/69/62/33/206696233.db2.gz LFRLIUQVTGIXNE-XBXARRHUSA-N 0 0 386.360 2.813 50 5 GFBARN Cn1c(CN2CCN(C(=O)Nc3ccccc3)CC2)nc2cc([N+](=O)[O-])ccc21 ZINC000013003478 206964195 /nfs/dbraw/zinc/96/41/95/206964195.db2.gz SCUJVGIZXLCTMF-UHFFFAOYSA-N 0 0 394.435 2.831 50 5 GFBARN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019169150 207106359 /nfs/dbraw/zinc/10/63/59/207106359.db2.gz HWDLCTYLUFEHHW-LQWHRVPQSA-N 0 0 392.415 2.521 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000020532681 207201071 /nfs/dbraw/zinc/20/10/71/207201071.db2.gz VVWNESSXLBWSKS-UHFFFAOYSA-N 0 0 393.451 2.788 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2ccccc2c1=O ZINC000025834168 207307150 /nfs/dbraw/zinc/30/71/50/207307150.db2.gz XJESYPNLPAEFPY-AWEZNQCLSA-N 0 0 380.404 2.914 50 5 GFBARN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000026120322 207310432 /nfs/dbraw/zinc/31/04/32/207310432.db2.gz UXUSUEXKXCUCTD-GOSISDBHSA-N 0 0 384.388 2.660 50 5 GFBARN O=C(NCCN1CCCCCC1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000032310852 207394657 /nfs/dbraw/zinc/39/46/57/207394657.db2.gz HZHUQOGZZHXPAH-UHFFFAOYSA-N 0 0 388.468 2.718 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccoc2C)CC1 ZINC000040153766 207587423 /nfs/dbraw/zinc/58/74/23/207587423.db2.gz ATFBKEUABCDFME-UHFFFAOYSA-N 0 0 387.392 3.000 50 5 GFBARN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc21 ZINC000095971425 208249141 /nfs/dbraw/zinc/24/91/41/208249141.db2.gz VUXVBFKUEVSVSE-UHFFFAOYSA-N 0 0 388.330 2.826 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100099857 208371323 /nfs/dbraw/zinc/37/13/23/208371323.db2.gz WTKQCEICXMDJAY-TXEJJXNPSA-N 0 0 377.784 2.528 50 5 GFBARN O=C(COC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001196199 208708720 /nfs/dbraw/zinc/70/87/20/208708720.db2.gz OIRQCLZKORYFTB-QGZVFWFLSA-N 0 0 398.371 2.984 50 5 GFBARN O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000058166389 208855752 /nfs/dbraw/zinc/85/57/52/208855752.db2.gz YNVCTIHVVRCZOW-UHFFFAOYSA-N 0 0 379.775 2.937 50 5 GFBARN C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029530008 208964542 /nfs/dbraw/zinc/96/45/42/208964542.db2.gz CDZDGCIWDSGNSR-MRXNPFEDSA-N 0 0 397.479 2.666 50 5 GFBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCCO)Cc1ccccn1 ZINC000252492977 209035028 /nfs/dbraw/zinc/03/50/28/209035028.db2.gz MYSHPHQBQBPFQP-UHFFFAOYSA-N 0 0 384.436 2.615 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000106552679 136191602 /nfs/dbraw/zinc/19/16/02/136191602.db2.gz FAXMAECEODAVAP-HZSPNIEDSA-N 0 0 377.441 2.711 50 5 GFBARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000170615083 136198959 /nfs/dbraw/zinc/19/89/59/136198959.db2.gz IJAPPMYJZHSBNJ-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000012800004 136200611 /nfs/dbraw/zinc/20/06/11/136200611.db2.gz XIOWUEHZSAJCJK-UHFFFAOYSA-N 0 0 375.406 2.559 50 5 GFBARN CCOC(=O)COC(=O)c1ccccc1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000016280662 528821835 /nfs/dbraw/zinc/82/18/35/528821835.db2.gz TUWPYWWKCIHHHS-UHFFFAOYSA-N 0 0 386.360 2.587 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccc(Br)cc1 ZINC000005090725 551096466 /nfs/dbraw/zinc/09/64/66/551096466.db2.gz REKHUSXMXFJRGS-UHFFFAOYSA-N 0 0 382.195 2.918 50 5 GFBARN O=C(NC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1)c1ccccc1 ZINC000048289292 570228590 /nfs/dbraw/zinc/22/85/90/570228590.db2.gz DUOVLBGVBIKMKZ-UHFFFAOYSA-N 0 0 394.431 2.878 50 5 GFBARN COc1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)c([N+](=O)[O-])c1 ZINC000011575675 570231335 /nfs/dbraw/zinc/23/13/35/570231335.db2.gz UWEWCWXOXPVQBT-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN O=C1[C@@H]2CCC[C@@H]2N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072301663 570256523 /nfs/dbraw/zinc/25/65/23/570256523.db2.gz SQBHHMQZZPEULI-KGLIPLIRSA-N 0 0 398.385 2.704 50 5 GFBARN C[C@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000043269214 570297054 /nfs/dbraw/zinc/29/70/54/570297054.db2.gz AJTYPZTWVGIZPM-AWEZNQCLSA-N 0 0 393.403 2.921 50 5 GFBARN O=C(c1ccccc1O)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000726359 570304105 /nfs/dbraw/zinc/30/41/05/570304105.db2.gz PTKJTYPESNROCA-INIZCTEOSA-N 0 0 395.293 2.910 50 5 GFBARN Cc1ccccc1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000006401847 570405196 /nfs/dbraw/zinc/40/51/96/570405196.db2.gz WAUCCUBJDULPST-UHFFFAOYSA-N 0 0 377.422 2.668 50 5 GFBARN COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005062907 570408965 /nfs/dbraw/zinc/40/89/65/570408965.db2.gz HOWDPOYYNLWYNU-UHFFFAOYSA-N 0 0 384.392 2.736 50 5 GFBARN CCOc1cc(NCC[C@](O)(c2nccn2C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000072307829 570525861 /nfs/dbraw/zinc/52/58/61/570525861.db2.gz HKBRCVMZZCQSLH-HNNXBMFYSA-N 0 0 388.346 2.979 50 5 GFBARN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1OC ZINC000003289567 570601730 /nfs/dbraw/zinc/60/17/30/570601730.db2.gz MLSFEDUDSHALQX-UHFFFAOYSA-N 0 0 375.337 2.759 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1[N+](=O)[O-] ZINC000018529781 570661813 /nfs/dbraw/zinc/66/18/13/570661813.db2.gz XGFGGOPPUXHWCW-UHFFFAOYSA-N 0 0 392.345 2.603 50 5 GFBARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c([N+](=O)[O-])c1 ZINC000004368311 570716600 /nfs/dbraw/zinc/71/66/00/570716600.db2.gz ANOUSPGLSBZMGA-UHFFFAOYSA-N 0 0 388.405 2.630 50 5 GFBARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000004412779 570745658 /nfs/dbraw/zinc/74/56/58/570745658.db2.gz RWGUUUHHMXJKJF-UHFFFAOYSA-N 0 0 392.799 2.762 50 5 GFBARN CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 ZINC000004660079 570810081 /nfs/dbraw/zinc/81/00/81/570810081.db2.gz OTGBYPQOCGNGPA-ZBFHGGJFSA-N 0 0 396.447 2.520 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCOc1ccc(C)cc1 ZINC000005987337 570812240 /nfs/dbraw/zinc/81/22/40/570812240.db2.gz MSJRGVKLZLNBCX-UHFFFAOYSA-N 0 0 388.376 2.863 50 5 GFBARN CN(C)c1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000004508032 570823923 /nfs/dbraw/zinc/82/39/23/570823923.db2.gz QWRFLVHQAZRMTC-UHFFFAOYSA-N 0 0 379.319 2.735 50 5 GFBARN COC(=O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[S@](=O)Cc1ccccc1 ZINC000003670013 570882197 /nfs/dbraw/zinc/88/21/97/570882197.db2.gz HXKVVUZYQHXGEZ-SANMLTNESA-N 0 0 378.362 2.526 50 5 GFBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)C3=C2O)cc1[N+](=O)[O-] ZINC000103556175 570886705 /nfs/dbraw/zinc/88/67/05/570886705.db2.gz PYAHTQSMBFCJQY-HOCLYGCPSA-N 0 0 385.763 2.849 50 5 GFBARN COCCNc1nnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000012621820 570899367 /nfs/dbraw/zinc/89/93/67/570899367.db2.gz SDPNJKLWIGJQEH-SECBINFHSA-N 0 0 383.455 2.624 50 5 GFBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3s2)n1 ZINC000002781920 654437942 /nfs/dbraw/zinc/43/79/42/654437942.db2.gz SUPMNBIJOCMEFS-UHFFFAOYSA-N 0 0 382.199 2.953 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccncc1 ZINC000000827407 206325227 /nfs/dbraw/zinc/32/52/27/206325227.db2.gz OUVBMDSPBFJLNL-HNNXBMFYSA-N 0 0 380.282 2.599 50 5 GFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000001135547 206357162 /nfs/dbraw/zinc/35/71/62/206357162.db2.gz FDLCRTVMUHZTHR-CSKARUKUSA-N 0 0 384.344 2.820 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001135311 206357195 /nfs/dbraw/zinc/35/71/95/206357195.db2.gz PUMQPCMJVVUKDY-UHFFFAOYSA-N 0 0 389.433 2.561 50 5 GFBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000001294311 206372274 /nfs/dbraw/zinc/37/22/74/206372274.db2.gz LKHWSIMDBOYVJR-ZSOIEALJSA-N 0 0 384.804 2.927 50 5 GFBARN CCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1 ZINC000001429837 206380406 /nfs/dbraw/zinc/38/04/06/206380406.db2.gz LRJMBMHQFMHNGM-UHFFFAOYSA-N 0 0 383.202 2.900 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001149736 206360321 /nfs/dbraw/zinc/36/03/21/206360321.db2.gz JZKNWBSFMBMVBU-UHFFFAOYSA-N 0 0 377.422 2.924 50 5 GFBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccnc1 ZINC000001891936 206393210 /nfs/dbraw/zinc/39/32/10/206393210.db2.gz GAZDUHODCCKHBY-UHFFFAOYSA-N 0 0 390.402 2.531 50 5 GFBARN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002062992 206397175 /nfs/dbraw/zinc/39/71/75/206397175.db2.gz ANHINKLKQXLBEG-UHFFFAOYSA-N 0 0 398.371 2.942 50 5 GFBARN CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccc(OC)cc1 ZINC000002221764 206403303 /nfs/dbraw/zinc/40/33/03/206403303.db2.gz VROZPDDQYLGNGU-UHFFFAOYSA-N 0 0 375.428 2.868 50 5 GFBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 ZINC000004688283 206543019 /nfs/dbraw/zinc/54/30/19/206543019.db2.gz AAMUZNAMKIBFSH-UHFFFAOYSA-N 0 0 380.448 2.826 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1cc(Br)cn1 ZINC000005042023 206586840 /nfs/dbraw/zinc/58/68/40/206586840.db2.gz BZUTUBGARQXCSJ-UHFFFAOYSA-N 0 0 398.217 2.774 50 5 GFBARN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008777730 206765582 /nfs/dbraw/zinc/76/55/82/206765582.db2.gz QXAPKDLZHJDXNA-INIZCTEOSA-N 0 0 397.431 2.767 50 5 GFBARN CNS(=O)(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])c1 ZINC000015208279 207047940 /nfs/dbraw/zinc/04/79/40/207047940.db2.gz RVPLODATTVKRHQ-UHFFFAOYSA-N 0 0 390.373 2.710 50 5 GFBARN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000015306843 207049078 /nfs/dbraw/zinc/04/90/78/207049078.db2.gz FAJFNVJJPZQXPU-AWEZNQCLSA-N 0 0 393.440 2.942 50 5 GFBARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1 ZINC000015880866 207065873 /nfs/dbraw/zinc/06/58/73/207065873.db2.gz QZYNBPXFOWEIDD-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN O=C1CCSc2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2N1 ZINC000015732045 207058332 /nfs/dbraw/zinc/05/83/32/207058332.db2.gz VBDKIHVNHFTQNZ-UHFFFAOYSA-N 0 0 397.409 2.969 50 5 GFBARN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017323397 207090267 /nfs/dbraw/zinc/09/02/67/207090267.db2.gz DTXSOVKAIBDWKA-AWEZNQCLSA-N 0 0 378.388 2.940 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018244178 207096868 /nfs/dbraw/zinc/09/68/68/207096868.db2.gz NRAHVXLVKQBDTI-VXGBXAGGSA-N 0 0 377.784 2.528 50 5 GFBARN CCc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019842586 207166828 /nfs/dbraw/zinc/16/68/28/207166828.db2.gz XXQLYMQJNVIHFC-UHFFFAOYSA-N 0 0 389.477 2.664 50 5 GFBARN O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(Cc2ccccc2)CC1 ZINC000020130910 207179050 /nfs/dbraw/zinc/17/90/50/207179050.db2.gz VIFWMTFELKXZGI-UHFFFAOYSA-N 0 0 398.466 2.806 50 5 GFBARN Cc1ccc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3nncn3c2c1 ZINC000020356891 207190078 /nfs/dbraw/zinc/19/00/78/207190078.db2.gz XKMXGYKOKALILH-UHFFFAOYSA-N 0 0 389.419 2.821 50 5 GFBARN Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000020427701 207190775 /nfs/dbraw/zinc/19/07/75/207190775.db2.gz OOISLUQQISQXQV-UHFFFAOYSA-N 0 0 385.405 2.827 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000021870846 207239749 /nfs/dbraw/zinc/23/97/49/207239749.db2.gz XXHHMDGZFUZDQY-UHFFFAOYSA-N 0 0 387.417 2.832 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000040105278 207341530 /nfs/dbraw/zinc/34/15/30/207341530.db2.gz GARAOKRDPBPCSH-UHFFFAOYSA-N 0 0 385.395 2.697 50 5 GFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2F)CC1 ZINC000032752737 207404766 /nfs/dbraw/zinc/40/47/66/207404766.db2.gz KYHDSKOFIFLGDT-MDZDMXLPSA-N 0 0 383.379 2.732 50 5 GFBARN Cc1nc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)sc1C ZINC000078879648 208065676 /nfs/dbraw/zinc/06/56/76/208065676.db2.gz JKSNHKKVJOSTPU-UHFFFAOYSA-N 0 0 382.405 2.612 50 5 GFBARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000095393772 208178574 /nfs/dbraw/zinc/17/85/74/208178574.db2.gz AAPKRQUPCQDRSK-QGZVFWFLSA-N 0 0 381.388 2.899 50 5 GFBARN CC[C@@](C)(CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C1OCCO1 ZINC000095406744 208179519 /nfs/dbraw/zinc/17/95/19/208179519.db2.gz MHSMQBLGKWOWFK-KRWDZBQOSA-N 0 0 386.470 2.751 50 5 GFBARN CC(=O)Nc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1F ZINC000095410036 208182186 /nfs/dbraw/zinc/18/21/86/208182186.db2.gz DRJDIRSPUYACBH-UHFFFAOYSA-N 0 0 385.348 2.941 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCC12CCOCC2 ZINC000095452092 208185012 /nfs/dbraw/zinc/18/50/12/208185012.db2.gz NWRVNMWJKQRPKR-UHFFFAOYSA-N 0 0 376.381 2.741 50 5 GFBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(Cl)cc2)s1 ZINC000095455269 208186706 /nfs/dbraw/zinc/18/67/06/208186706.db2.gz CEYOVRCYCCIRFS-LLVKDONJSA-N 0 0 376.843 2.859 50 5 GFBARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])n1 ZINC000096118778 208266335 /nfs/dbraw/zinc/26/63/35/208266335.db2.gz YJTNOVBFFVFZOK-UHFFFAOYSA-N 0 0 388.405 2.750 50 5 GFBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCC3)c(=N)n1C(C)C)c2=O ZINC000100630688 208379062 /nfs/dbraw/zinc/37/90/62/208379062.db2.gz MRBUDMXQEHXWPF-UHFFFAOYSA-N 0 0 379.464 2.690 50 5 GFBARN C[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000048302210 208448505 /nfs/dbraw/zinc/44/85/05/208448505.db2.gz XXGLFYYWWLSQDD-AWEZNQCLSA-N 0 0 380.404 2.962 50 5 GFBARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000008644626 208696225 /nfs/dbraw/zinc/69/62/25/208696225.db2.gz CLZBIEYHJLBVDU-FQEVSTJZSA-N 0 0 396.403 2.699 50 5 GFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000020750920 208818527 /nfs/dbraw/zinc/81/85/27/208818527.db2.gz HIHCCZNBXIBYCX-SSDOTTSWSA-N 0 0 383.700 2.933 50 5 GFBARN COc1cc(C(=O)N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c(OC)c1OC ZINC000058111040 208851804 /nfs/dbraw/zinc/85/18/04/208851804.db2.gz AQJUMKWJXLMHHU-ZDUSSCGKSA-N 0 0 388.376 2.874 50 5 GFBARN COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])c1 ZINC000248247635 209033153 /nfs/dbraw/zinc/03/31/53/209033153.db2.gz MZKCIEWQUXXINR-UHFFFAOYSA-N 0 0 388.383 2.820 50 5 GFBARN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000253432254 209040522 /nfs/dbraw/zinc/04/05/22/209040522.db2.gz XKRILEAOLZWQNJ-LBPRGKRZSA-N 0 0 381.795 2.735 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040130821 132398562 /nfs/dbraw/zinc/39/85/62/132398562.db2.gz WHVLKZDMNWXPPS-LLVKDONJSA-N 0 0 391.815 2.902 50 5 GFBARN COc1cccc(C(=O)N2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)c1 ZINC000095446214 136179092 /nfs/dbraw/zinc/17/90/92/136179092.db2.gz BMYNKJUGURONCM-UHFFFAOYSA-N 0 0 389.383 2.714 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000248255190 519820077 /nfs/dbraw/zinc/82/00/77/519820077.db2.gz UJMLTOXSMKCZSF-LYRGGWFBSA-N 0 0 397.859 2.686 50 5 GFBARN COCCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000048353814 570240969 /nfs/dbraw/zinc/24/09/69/570240969.db2.gz CMKWNJDVFHGASB-GFCCVEGCSA-N 0 0 389.408 2.823 50 5 GFBARN Cc1c(CS(=O)(=O)CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000048717037 570254185 /nfs/dbraw/zinc/25/41/85/570254185.db2.gz XORSEDBNYNGPTN-YJBOKZPZSA-N 0 0 394.493 2.999 50 5 GFBARN Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000248024852 570435929 /nfs/dbraw/zinc/43/59/29/570435929.db2.gz LDHBZIZMTGJWTP-SJLPKXTDSA-N 0 0 383.452 2.551 50 5 GFBARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006549978 570471925 /nfs/dbraw/zinc/47/19/25/570471925.db2.gz DRWNFMOMQHQLSO-WSVATBPTSA-N 0 0 398.371 2.682 50 5 GFBARN O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005259259 570528068 /nfs/dbraw/zinc/52/80/68/570528068.db2.gz ODXPLFGJXTUHJW-UHFFFAOYSA-N 0 0 375.340 2.983 50 5 GFBARN Cc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000005505476 570615664 /nfs/dbraw/zinc/61/56/64/570615664.db2.gz RILBEJSOMWNYRB-SFHVURJKSA-N 0 0 384.388 2.660 50 5 GFBARN COC[C@H](C)NS(=O)(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000033012173 570624417 /nfs/dbraw/zinc/62/44/17/570624417.db2.gz VDMCHEAOSVHYQO-AWEZNQCLSA-N 0 0 393.465 2.563 50 5 GFBARN O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006829136 570626288 /nfs/dbraw/zinc/62/62/88/570626288.db2.gz LRAJEPOEBVAHMV-OAHLLOKOSA-N 0 0 399.281 2.849 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025326907 570747790 /nfs/dbraw/zinc/74/77/90/570747790.db2.gz RQCJGWPWUSSFMF-UHFFFAOYSA-N 0 0 383.404 2.526 50 5 GFBARN CC1CCC(N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000007187530 570811910 /nfs/dbraw/zinc/81/19/10/570811910.db2.gz ZRVASSVSEJJQNZ-UHFFFAOYSA-N 0 0 397.497 2.631 50 5 GFBARN COC(=O)[C@H](CC(C)C)Nc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] ZINC000004684537 570830137 /nfs/dbraw/zinc/83/01/37/570830137.db2.gz QMXZIPNCUSDZEI-AWEZNQCLSA-N 0 0 377.397 2.638 50 5 GFBARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004689055 570834811 /nfs/dbraw/zinc/83/48/11/570834811.db2.gz VQRWUPFBEXBUSA-UHFFFAOYSA-N 0 0 389.795 2.973 50 5 GFBARN COC(=O)[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC000170597037 570854313 /nfs/dbraw/zinc/85/43/13/570854313.db2.gz TVDINLJVIXTQJF-GOSISDBHSA-N 0 0 389.383 2.875 50 5 GFBARN COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc([N+](=O)[O-])cc2)C3)cc1 ZINC000004727968 570883339 /nfs/dbraw/zinc/88/33/39/570883339.db2.gz GNNXWGCMVGGHGR-GOSISDBHSA-N 0 0 394.387 2.600 50 5 GFBARN O=C(NC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104915500 570908024 /nfs/dbraw/zinc/90/80/24/570908024.db2.gz SRMRJLBXLHKMRU-PZJWPPBQSA-N 0 0 392.459 2.741 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000043827738 570993862 /nfs/dbraw/zinc/99/38/62/570993862.db2.gz CQZGZCAGOSAFCA-LBPRGKRZSA-N 0 0 379.413 2.875 50 5 GFBARN CC(C)(C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754967 206320026 /nfs/dbraw/zinc/32/00/26/206320026.db2.gz ILZHXWJOLZPQOA-KRWDZBQOSA-N 0 0 395.415 2.717 50 5 GFBARN O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cc(Cl)ccc1O ZINC000000781728 206320764 /nfs/dbraw/zinc/32/07/64/206320764.db2.gz ZSWSCPDZBFWCSX-UHFFFAOYSA-N 0 0 389.751 2.579 50 5 GFBARN CC(C)(C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754966 206320943 /nfs/dbraw/zinc/32/09/43/206320943.db2.gz ILZHXWJOLZPQOA-QGZVFWFLSA-N 0 0 395.415 2.717 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000000881472 206330328 /nfs/dbraw/zinc/33/03/28/206330328.db2.gz MBLFNHBNSKIMQV-UHFFFAOYSA-N 0 0 379.369 2.878 50 5 GFBARN CCc1cccc(C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001141851 206358018 /nfs/dbraw/zinc/35/80/18/206358018.db2.gz WSZAQXSSNTXULI-UHFFFAOYSA-N 0 0 391.449 2.870 50 5 GFBARN Cc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000001056043 206346595 /nfs/dbraw/zinc/34/65/95/206346595.db2.gz KOOOZEGQBOXGKD-UHFFFAOYSA-N 0 0 375.406 2.874 50 5 GFBARN Cn1c2cn(-c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000001119677 206354806 /nfs/dbraw/zinc/35/48/06/206354806.db2.gz RLJXTLZUNAYAJJ-UHFFFAOYSA-N 0 0 376.372 2.603 50 5 GFBARN COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000001128403 206355687 /nfs/dbraw/zinc/35/56/87/206355687.db2.gz KQIXEYKUGHSCQW-UHFFFAOYSA-N 0 0 382.376 2.654 50 5 GFBARN CCc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001133509 206357540 /nfs/dbraw/zinc/35/75/40/206357540.db2.gz ZYVMPGBCVQATOD-UHFFFAOYSA-N 0 0 377.422 2.562 50 5 GFBARN CCOc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000001429833 206380337 /nfs/dbraw/zinc/38/03/37/206380337.db2.gz ZUWQWVZPVQKXRZ-UHFFFAOYSA-N 0 0 383.202 2.900 50 5 GFBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 ZINC000001891985 206393887 /nfs/dbraw/zinc/39/38/87/206393887.db2.gz BZFLNEZMNZEFLE-UHFFFAOYSA-N 0 0 379.375 2.729 50 5 GFBARN O=C(OCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000005100655 206592078 /nfs/dbraw/zinc/59/20/78/206592078.db2.gz QFLVTNLCDWLSKP-UHFFFAOYSA-N 0 0 398.415 2.950 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)OC)cc1 ZINC000005280578 206604195 /nfs/dbraw/zinc/60/41/95/206604195.db2.gz XAZHJAPAKGLENH-UHFFFAOYSA-N 0 0 388.376 2.797 50 5 GFBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)c1 ZINC000009161453 206776773 /nfs/dbraw/zinc/77/67/73/206776773.db2.gz CDXWNZQHCKAWGV-UHFFFAOYSA-N 0 0 386.368 2.933 50 5 GFBARN Cc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c([N+](=O)[O-])cc1C ZINC000012864586 206945607 /nfs/dbraw/zinc/94/56/07/206945607.db2.gz BXXWXNUUFFQFMO-UHFFFAOYSA-N 0 0 386.339 2.806 50 5 GFBARN O=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000014241048 207018088 /nfs/dbraw/zinc/01/80/88/207018088.db2.gz HHPBEPWSNXTISZ-UHFFFAOYSA-N 0 0 380.389 2.917 50 5 GFBARN COc1cc(CCNS(=O)(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000015362734 207049152 /nfs/dbraw/zinc/04/91/52/207049152.db2.gz KJKMXEUKILMHCC-UHFFFAOYSA-N 0 0 394.449 2.750 50 5 GFBARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016055919 207071546 /nfs/dbraw/zinc/07/15/46/207071546.db2.gz FBOMUMBVNRUPFL-UHFFFAOYSA-N 0 0 377.404 2.947 50 5 GFBARN COc1cc([C@@H]2OC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1OC(C)=O ZINC000021090744 207225339 /nfs/dbraw/zinc/22/53/39/207225339.db2.gz QKUZSMPDHMFFIS-IBGZPJMESA-N 0 0 399.359 2.768 50 5 GFBARN COC[C@H](C)Nc1nc(/C=C/c2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000038488514 207307025 /nfs/dbraw/zinc/30/70/25/207307025.db2.gz IPNABRWFLMLRSR-HVHJFMEUSA-N 0 0 399.451 2.839 50 5 GFBARN O=C(NCCc1ccc2c(c1)OCO2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000032741223 207401896 /nfs/dbraw/zinc/40/18/96/207401896.db2.gz LUWWKZGUTPJUSA-UHFFFAOYSA-N 0 0 397.431 2.899 50 5 GFBARN C[C@H](c1cccs1)N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000033235769 207443457 /nfs/dbraw/zinc/44/34/57/207443457.db2.gz ZXYABBNAMHKGET-LLVKDONJSA-N 0 0 375.406 2.601 50 5 GFBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCN1CCCS1(=O)=O ZINC000060874777 207786708 /nfs/dbraw/zinc/78/67/08/207786708.db2.gz AOTVZVRNRFNILA-UHFFFAOYSA-N 0 0 387.767 2.714 50 5 GFBARN CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC000095350166 208157655 /nfs/dbraw/zinc/15/76/55/208157655.db2.gz UOEJKKTXLQNLFH-UHFFFAOYSA-N 0 0 381.841 2.889 50 5 GFBARN CN(C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000095436638 208180522 /nfs/dbraw/zinc/18/05/22/208180522.db2.gz PMDVQVQTHQIDII-QGZVFWFLSA-N 0 0 378.379 2.704 50 5 GFBARN O=C(NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000005050269 136194448 /nfs/dbraw/zinc/19/44/48/136194448.db2.gz NHUSESLXUFDABX-UHFFFAOYSA-N 0 0 383.452 2.929 50 5 GFBARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000000804974 519471954 /nfs/dbraw/zinc/47/19/54/519471954.db2.gz GZRYTHJYFZWAQX-UHFFFAOYSA-N 0 0 386.408 2.745 50 5 GFBARN Cc1nc2cc(F)cc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c2nc1C ZINC000048356398 570242783 /nfs/dbraw/zinc/24/27/83/570242783.db2.gz ZRBAHNLKKJNDTP-KRWDZBQOSA-N 0 0 384.367 2.757 50 5 GFBARN Cn1c2cn(Cc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000004828582 570284157 /nfs/dbraw/zinc/28/41/57/570284157.db2.gz YSGIJZMMFUTWHL-UHFFFAOYSA-N 0 0 390.399 2.662 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)COc1ccc(C)cc1 ZINC000004834345 570306144 /nfs/dbraw/zinc/30/61/44/570306144.db2.gz NKLIQQMQSXPPOK-UHFFFAOYSA-N 0 0 375.406 2.804 50 5 GFBARN C[C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593285 570399040 /nfs/dbraw/zinc/39/90/40/570399040.db2.gz TUHWLSCTTFSKOE-GOEBONIOSA-N 0 0 396.513 2.522 50 5 GFBARN COc1cccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005054769 570406979 /nfs/dbraw/zinc/40/69/79/570406979.db2.gz CMYMDKRFXWUKCD-UHFFFAOYSA-N 0 0 395.371 2.646 50 5 GFBARN O=C(OCCOc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000035800738 570453036 /nfs/dbraw/zinc/45/30/36/570453036.db2.gz JLTMTLAIQVXIDE-UHFFFAOYSA-N 0 0 380.784 2.888 50 5 GFBARN Cc1ccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000006551976 570474857 /nfs/dbraw/zinc/47/48/57/570474857.db2.gz HAMRWWWHDKEQQO-UHFFFAOYSA-N 0 0 391.449 2.536 50 5 GFBARN CC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000035946570 570482601 /nfs/dbraw/zinc/48/26/01/570482601.db2.gz SYWSPAFJNKPWKG-IBGZPJMESA-N 0 0 398.394 2.890 50 5 GFBARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000005213458 570512119 /nfs/dbraw/zinc/51/21/19/570512119.db2.gz BZEYXMHAUVBKNI-UHFFFAOYSA-N 0 0 386.437 2.997 50 5 GFBARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000005326525 570554427 /nfs/dbraw/zinc/55/44/27/570554427.db2.gz SETHVHGMDYFWEC-UHFFFAOYSA-N 0 0 389.364 2.512 50 5 GFBARN Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000005329302 570554820 /nfs/dbraw/zinc/55/48/20/570554820.db2.gz ZGHALFOBMAOCNV-UHFFFAOYSA-N 0 0 375.406 2.831 50 5 GFBARN CCC(=O)Nc1cc2nc3[nH]c(=O)n(C4CCCCC4)c(=O)c3nc2cc1C ZINC000006733140 570557795 /nfs/dbraw/zinc/55/77/95/570557795.db2.gz DWIVTPJXLJPWMS-UHFFFAOYSA-N 0 0 381.436 2.795 50 5 GFBARN CC(C)OCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000006788028 570593795 /nfs/dbraw/zinc/59/37/95/570593795.db2.gz MHCFCXGFHSTDHA-INIZCTEOSA-N 0 0 399.875 2.934 50 5 GFBARN O=c1nc2n(n1Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(Cl)cc1)C2 ZINC000036353447 570635118 /nfs/dbraw/zinc/63/51/18/570635118.db2.gz GHJDYERNQHAKCB-UHFFFAOYSA-N 0 0 385.767 2.643 50 5 GFBARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857663 570649750 /nfs/dbraw/zinc/64/97/50/570649750.db2.gz AXZKTRBBTDORCU-OAHLLOKOSA-N 0 0 388.405 2.802 50 5 GFBARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004619474 570667237 /nfs/dbraw/zinc/66/72/37/570667237.db2.gz CEFSHOZSGOZIIC-UHFFFAOYSA-N 0 0 384.348 2.991 50 5 GFBARN O=[N+]([O-])c1ccc(NC2=NS(=O)(=O)c3ccccc32)c(Br)c1 ZINC000004342201 570675739 /nfs/dbraw/zinc/67/57/39/570675739.db2.gz ZIELAMSHAVBJKB-UHFFFAOYSA-N 0 0 382.195 2.918 50 5 GFBARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCS2 ZINC000004339340 570678253 /nfs/dbraw/zinc/67/82/53/570678253.db2.gz PMCPRGVJCONPJR-UHFFFAOYSA-N 0 0 392.462 2.550 50 5 GFBARN COc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c([N+](=O)[O-])cc1OC ZINC000012976298 570735053 /nfs/dbraw/zinc/73/50/53/570735053.db2.gz WEHCLKDLEORFDJ-UHFFFAOYSA-N 0 0 385.376 2.757 50 5 GFBARN O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025174888 570740045 /nfs/dbraw/zinc/74/00/45/570740045.db2.gz DTHCJVZOFNRYBU-UHFFFAOYSA-N 0 0 389.375 2.673 50 5 GFBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000013711627 570777828 /nfs/dbraw/zinc/77/78/28/570777828.db2.gz HCRYXGIJGFQIFI-AOOOYVTPSA-N 0 0 378.820 2.978 50 5 GFBARN CCN1C[C@@H](CN(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000007257304 570821184 /nfs/dbraw/zinc/82/11/84/570821184.db2.gz RTOCRBGBXXAERB-OAHLLOKOSA-N 0 0 384.436 2.996 50 5 GFBARN COC(=O)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC000170597036 570854333 /nfs/dbraw/zinc/85/43/33/570854333.db2.gz TVDINLJVIXTQJF-SFHVURJKSA-N 0 0 389.383 2.875 50 5 GFBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104915497 570908046 /nfs/dbraw/zinc/90/80/46/570908046.db2.gz SRMRJLBXLHKMRU-TZIWHRDSSA-N 0 0 392.459 2.741 50 5 GFBARN CCOc1ccc(NC(=O)COC(=O)CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000005752567 570968176 /nfs/dbraw/zinc/96/81/76/570968176.db2.gz APJJYJFUJWKJGX-UHFFFAOYSA-N 0 0 388.376 2.944 50 5 GFBARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012770658 571024644 /nfs/dbraw/zinc/02/46/44/571024644.db2.gz LQRWCFQUQXONPN-SFHVURJKSA-N 0 0 383.404 2.697 50 5 GFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000019848206 206252090 /nfs/dbraw/zinc/25/20/90/206252090.db2.gz ZZMAQXQYAFQFBB-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000229716790 206260822 /nfs/dbraw/zinc/26/08/22/206260822.db2.gz CCARUKSCKPYHRS-PVUWLOKVSA-N 0 0 375.425 2.973 50 5 GFBARN Cc1cc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)no1 ZINC000000692368 206317589 /nfs/dbraw/zinc/31/75/89/206317589.db2.gz PCMNSXCVMGDZMC-UHFFFAOYSA-N 0 0 377.312 2.923 50 5 GFBARN CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001137079 206358516 /nfs/dbraw/zinc/35/85/16/206358516.db2.gz SXOFLJHTZPDBHZ-UHFFFAOYSA-N 0 0 377.422 2.562 50 5 GFBARN COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000001126729 206355837 /nfs/dbraw/zinc/35/58/37/206355837.db2.gz PGELLJGJMFIZFB-UHFFFAOYSA-N 0 0 397.431 2.772 50 5 GFBARN Cc1cc(C)cc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000001129804 206357218 /nfs/dbraw/zinc/35/72/18/206357218.db2.gz XPPCEUZUDQSVQO-UHFFFAOYSA-N 0 0 391.449 2.925 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000001136285 206357729 /nfs/dbraw/zinc/35/77/29/206357729.db2.gz DILPMLYWQJPNLO-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1nnc(CCc2ccccc2)s1 ZINC000001432064 206381030 /nfs/dbraw/zinc/38/10/30/206381030.db2.gz CPIBXSGMQARWMQ-UHFFFAOYSA-N 0 0 386.437 2.847 50 5 GFBARN O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1CCCO)CCCC2 ZINC000010275745 206382774 /nfs/dbraw/zinc/38/27/74/206382774.db2.gz VHGZLUIRNIPKDP-UHFFFAOYSA-N 0 0 375.450 2.705 50 5 GFBARN O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000003124317 206459036 /nfs/dbraw/zinc/45/90/36/206459036.db2.gz BFIDLVDZJAMGNC-UHFFFAOYSA-N 0 0 388.177 2.950 50 5 GFBARN O=C(c1coc(=O)c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004192410 206507149 /nfs/dbraw/zinc/50/71/49/206507149.db2.gz LSEUXZBNXSFQJA-UHFFFAOYSA-N 0 0 379.372 2.664 50 5 GFBARN Cc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004302969 206512972 /nfs/dbraw/zinc/51/29/72/206512972.db2.gz PIGIRUUYSICALP-IAGOWNOFSA-N 0 0 387.417 2.515 50 5 GFBARN CC(C)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(C)C ZINC000004893117 206566400 /nfs/dbraw/zinc/56/64/00/206566400.db2.gz AAUIJWAPMUKNHZ-UHFFFAOYSA-N 0 0 377.441 2.997 50 5 GFBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000004840695 206562156 /nfs/dbraw/zinc/56/21/56/206562156.db2.gz MBMLTKLPUUVFBH-UHFFFAOYSA-N 0 0 375.425 2.801 50 5 GFBARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000005450883 206612265 /nfs/dbraw/zinc/61/22/65/206612265.db2.gz JZBRBCYWBWXVNK-LBPRGKRZSA-N 0 0 392.433 2.920 50 5 GFBARN N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nonc1-n1cccc1 ZINC000012360567 206888617 /nfs/dbraw/zinc/88/86/17/206888617.db2.gz HWUZSQXRQWQSFG-VNAOIOOSSA-N 0 0 382.361 2.824 50 5 GFBARN COc1cccc(C2=N/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)c1 ZINC000019358586 207118347 /nfs/dbraw/zinc/11/83/47/207118347.db2.gz HLUBDIFUPHHGEO-RIYZIHGNSA-N 0 0 384.344 2.965 50 5 GFBARN O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000019790008 207160172 /nfs/dbraw/zinc/16/01/72/207160172.db2.gz CBUFPTTWGUUFPL-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN COC(=O)C1=C(C)N[C@H](c2ccccc2[N+](=O)[O-])N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000019923983 207170820 /nfs/dbraw/zinc/17/08/20/207170820.db2.gz AANAYIQNTXWIMX-ROUUACIJSA-N 0 0 398.375 2.883 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000020028518 207174582 /nfs/dbraw/zinc/17/45/82/207174582.db2.gz RMNMSUHPHKWKMZ-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000020311858 207188266 /nfs/dbraw/zinc/18/82/66/207188266.db2.gz FMVWEOAJEFFOEM-HNNXBMFYSA-N 0 0 387.411 2.846 50 5 GFBARN CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2cc([N+](=O)[O-])ccc21 ZINC000020893370 207218162 /nfs/dbraw/zinc/21/81/62/207218162.db2.gz JQCNTKXHACHBHW-UHFFFAOYSA-N 0 0 375.429 2.629 50 5 GFBARN C[C@@H](OC(=O)c1ccc(NC2CC2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000039564084 207332462 /nfs/dbraw/zinc/33/24/62/207332462.db2.gz FGFOJYZOHFTVIX-SNVBAGLBSA-N 0 0 388.355 2.887 50 5 GFBARN COc1ccccc1-c1nnc(SCCOc2cccc([N+](=O)[O-])c2)n1N ZINC000040122843 207345383 /nfs/dbraw/zinc/34/53/83/207345383.db2.gz JMPKNKXMZQWORV-UHFFFAOYSA-N 0 0 387.421 2.747 50 5 GFBARN CC(=O)Nc1ccc(OC[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000040158408 207357494 /nfs/dbraw/zinc/35/74/94/207357494.db2.gz IHTUOLICXYULNM-GOSISDBHSA-N 0 0 396.403 2.857 50 5 GFBARN NS(=O)(=O)[C@@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000032911819 207419689 /nfs/dbraw/zinc/41/96/89/207419689.db2.gz BAUVQALOZPNGDX-SSDOTTSWSA-N 0 0 387.767 2.524 50 5 GFBARN O=C(NCCc1nnc2n1CCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000069532060 207927286 /nfs/dbraw/zinc/92/72/86/207927286.db2.gz RGDFUGSWKXNWOQ-UHFFFAOYSA-N 0 0 392.419 2.849 50 5 GFBARN Cc1sc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000084028521 208086786 /nfs/dbraw/zinc/08/67/86/208086786.db2.gz ZKLBVKCABBUBDL-UHFFFAOYSA-N 0 0 375.450 2.727 50 5 GFBARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004496220 208545049 /nfs/dbraw/zinc/54/50/49/208545049.db2.gz DLESWFUBWWPFJG-UHFFFAOYSA-N 0 0 378.406 2.714 50 5 GFBARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000012540872 208772978 /nfs/dbraw/zinc/77/29/78/208772978.db2.gz RWWZXALQBYDZQJ-MBNYWOFBSA-N 0 0 394.424 2.710 50 5 GFBARN CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000024659823 208869449 /nfs/dbraw/zinc/86/94/49/208869449.db2.gz XZMHFKXZPAETPU-UHFFFAOYSA-N 0 0 396.808 2.986 50 5 GFBARN COc1cccc(-c2nnc(Sc3ncc([N+](=O)[O-])c(NC4CC4)n3)n2C)c1 ZINC000026698874 208907287 /nfs/dbraw/zinc/90/72/87/208907287.db2.gz OSEYGUCYNLFDIJ-UHFFFAOYSA-N 0 0 399.436 2.914 50 5 GFBARN COc1cc(F)c([N+](=O)[O-])c(N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000225531858 208958028 /nfs/dbraw/zinc/95/80/28/208958028.db2.gz BKKVHYDWWTXLBL-UHFFFAOYSA-N 0 0 399.419 2.599 50 5 GFBARN Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000008767936 221057318 /nfs/dbraw/zinc/05/73/18/221057318.db2.gz GUPCGRJHLVOHEV-DLBZAZTESA-N 0 0 387.417 2.515 50 5 GFBARN Cn1ccnc1[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000009154134 221071308 /nfs/dbraw/zinc/07/13/08/221071308.db2.gz MVIBTAFDJYIGBS-GOSISDBHSA-N 0 0 384.367 2.752 50 5 GFBARN CNC(=O)c1ccc(N2CCCC[C@H]2c2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000095393712 536430282 /nfs/dbraw/zinc/43/02/82/536430282.db2.gz SZYXULBFZUKASE-HNNXBMFYSA-N 0 0 384.440 2.614 50 5 GFBARN CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3cccs3)nc2N1 ZINC000004294134 570217343 /nfs/dbraw/zinc/21/73/43/570217343.db2.gz TXASBYKFXRAZMA-AWEZNQCLSA-N 0 0 382.405 2.689 50 5 GFBARN COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006052539 570229331 /nfs/dbraw/zinc/22/93/31/570229331.db2.gz NLMJUQLACJOGTP-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000006150539 570277686 /nfs/dbraw/zinc/27/76/86/570277686.db2.gz WKLQFYAOQZOWCJ-UHFFFAOYSA-N 0 0 394.390 2.934 50 5 GFBARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000004872706 570351957 /nfs/dbraw/zinc/35/19/57/570351957.db2.gz HUAQHCIZLKFDMO-UHFFFAOYSA-N 0 0 377.347 2.601 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C)cc1 ZINC000013452203 570353623 /nfs/dbraw/zinc/35/36/23/570353623.db2.gz UHANQFJOMAMEMG-OAHLLOKOSA-N 0 0 375.450 2.803 50 5 GFBARN Cc1nn(C)c(C)c1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000024938220 570356957 /nfs/dbraw/zinc/35/69/57/570356957.db2.gz DKXNZJXIYGCYLK-UHFFFAOYSA-N 0 0 377.832 2.561 50 5 GFBARN O=C(Nc1cccc(F)c1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054743 570406814 /nfs/dbraw/zinc/40/68/14/570406814.db2.gz YVMAEGNTNFHTIY-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005056763 570407203 /nfs/dbraw/zinc/40/72/03/570407203.db2.gz YSSCOGDAKOAMMP-UHFFFAOYSA-N 0 0 382.767 2.587 50 5 GFBARN CCc1ccccc1Nc1nc(N)nc(COc2ccc(C)nc2[N+](=O)[O-])n1 ZINC000006509089 570461517 /nfs/dbraw/zinc/46/15/17/570461517.db2.gz XXVAEHOECOFPHR-UHFFFAOYSA-N 0 0 381.396 2.950 50 5 GFBARN COC(=O)Cn1c2c(cccc2F)s/c1=N/C(=O)c1ccccc1[N+](=O)[O-] ZINC000097552303 570548902 /nfs/dbraw/zinc/54/89/02/570548902.db2.gz SPXAANSBCODNNB-HTXNQAPBSA-N 0 0 389.364 2.664 50 5 GFBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC(C)(C)C ZINC000006740905 570562828 /nfs/dbraw/zinc/56/28/28/570562828.db2.gz CUHPLRQDHNEJQS-VIFPVBQESA-N 0 0 391.346 2.872 50 5 GFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000005436794 570592599 /nfs/dbraw/zinc/59/25/99/570592599.db2.gz ILILKNZOSURMHR-SNVBAGLBSA-N 0 0 392.799 2.893 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)ccc1Cl ZINC000006831416 570634833 /nfs/dbraw/zinc/63/48/33/570634833.db2.gz ZGWYMEYEGPWWMY-UHFFFAOYSA-N 0 0 396.734 2.967 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc2ccccc2c1 ZINC000003117208 570662432 /nfs/dbraw/zinc/66/24/32/570662432.db2.gz KXFLPMOGUYANHB-UHFFFAOYSA-N 0 0 376.324 2.950 50 5 GFBARN COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000072329407 570675458 /nfs/dbraw/zinc/67/54/58/570675458.db2.gz OFSANVLNGKLXJF-UHFFFAOYSA-N 0 0 396.403 2.975 50 5 GFBARN O=c1c2ccccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12 ZINC000025329057 570746786 /nfs/dbraw/zinc/74/67/86/570746786.db2.gz YMADJEDBHKSHDN-UHFFFAOYSA-N 0 0 389.459 2.530 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000007069321 570779486 /nfs/dbraw/zinc/77/94/86/570779486.db2.gz UCAOASMTFAKQJL-GFCCVEGCSA-N 0 0 388.449 2.940 50 5 GFBARN Cc1cccc2c1C(=O)NC1(CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC1)N2 ZINC000034811944 570801296 /nfs/dbraw/zinc/80/12/96/570801296.db2.gz MXPDQSIYKZNGJR-UHFFFAOYSA-N 0 0 380.404 2.691 50 5 GFBARN COc1ccc(N2C[C@@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC ZINC000032769191 570803896 /nfs/dbraw/zinc/80/38/96/570803896.db2.gz GEUVIFSVRHDLBW-ZDUSSCGKSA-N 0 0 399.403 2.628 50 5 GFBARN Cc1cnc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 ZINC000005699199 570817455 /nfs/dbraw/zinc/81/74/55/570817455.db2.gz ZAQRSXPEPUOUEL-UHFFFAOYSA-N 0 0 395.341 2.674 50 5 GFBARN COc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1Cl ZINC000005699537 570817479 /nfs/dbraw/zinc/81/74/79/570817479.db2.gz SWIANYVWVBZQIA-UHFFFAOYSA-N 0 0 394.815 2.712 50 5 GFBARN COc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004681085 570828540 /nfs/dbraw/zinc/82/85/40/570828540.db2.gz WCMAWJWHFUFVSK-ZDUSSCGKSA-N 0 0 394.811 2.769 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCCC2 ZINC000004686839 570831215 /nfs/dbraw/zinc/83/12/15/570831215.db2.gz YFALPXAGCFLCCK-UHFFFAOYSA-N 0 0 378.410 2.547 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1C ZINC000004515962 570831625 /nfs/dbraw/zinc/83/16/25/570831625.db2.gz QPLWOEJFMZIWFA-YJYMSZOUSA-N 0 0 388.424 2.651 50 5 GFBARN CCOC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000004705151 570842806 /nfs/dbraw/zinc/84/28/06/570842806.db2.gz KQYNUIGPCGKMGF-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ncc(Cl)cc1Cl ZINC000003310600 570855058 /nfs/dbraw/zinc/85/50/58/570855058.db2.gz KLCFADXTJAJYKB-UHFFFAOYSA-N 0 0 395.158 2.531 50 5 GFBARN COc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2nccn2C)cc1 ZINC000012559520 570861540 /nfs/dbraw/zinc/86/15/40/570861540.db2.gz YGRWNVQPNCAXNN-KRWDZBQOSA-N 0 0 381.392 2.637 50 5 GFBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000012564278 570869480 /nfs/dbraw/zinc/86/94/80/570869480.db2.gz IVXYHZGGGZLSOF-CQSZACIVSA-N 0 0 391.449 2.789 50 5 GFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000032883880 570884631 /nfs/dbraw/zinc/88/46/31/570884631.db2.gz UVIHJFHYMMQCGX-CQSZACIVSA-N 0 0 397.435 2.737 50 5 GFBARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000054530736 570967557 /nfs/dbraw/zinc/96/75/57/570967557.db2.gz YHJMZJQOCWHPDK-UHFFFAOYSA-N 0 0 390.827 2.715 50 5 GFBARN O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000004770005 570996188 /nfs/dbraw/zinc/99/61/88/570996188.db2.gz DZTOIZLRJJSPER-UHFFFAOYSA-N 0 0 377.853 2.676 50 5 GFBARN Cc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000007718539 571020658 /nfs/dbraw/zinc/02/06/58/571020658.db2.gz OLZBTYICVLVKMC-SJORKVTESA-N 0 0 387.417 2.515 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000009402877 206332587 /nfs/dbraw/zinc/33/25/87/206332587.db2.gz DSYYDKRUPBGVQA-MRXNPFEDSA-N 0 0 397.347 2.770 50 5 GFBARN CCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000001112450 206353668 /nfs/dbraw/zinc/35/36/68/206353668.db2.gz PBDQHNQBLOFSPW-UHFFFAOYSA-N 0 0 377.422 2.562 50 5 GFBARN Cc1c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001859774 206392854 /nfs/dbraw/zinc/39/28/54/206392854.db2.gz ZIOQMCTYBWBPPX-UHFFFAOYSA-N 0 0 389.276 2.759 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2ccccc2oc1=O ZINC000003251315 206464818 /nfs/dbraw/zinc/46/48/18/206464818.db2.gz VWKVCGBMXULULF-UHFFFAOYSA-N 0 0 398.327 2.505 50 5 GFBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccccc1F)C1CC1 ZINC000008512444 206753041 /nfs/dbraw/zinc/75/30/41/206753041.db2.gz IFTBYWHIKHBHBP-UHFFFAOYSA-N 0 0 396.378 2.635 50 5 GFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000009901298 206803396 /nfs/dbraw/zinc/80/33/96/206803396.db2.gz AKWFHGSLUZCCRY-CYBMUJFWSA-N 0 0 392.415 2.779 50 5 GFBARN CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CCO1 ZINC000012644581 206922971 /nfs/dbraw/zinc/92/29/71/206922971.db2.gz OFKGHLMWYMYOCU-HUUCEWRRSA-N 0 0 397.497 2.631 50 5 GFBARN Cc1ccc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)cc1[N+](=O)[O-] ZINC000012557659 206912300 /nfs/dbraw/zinc/91/23/00/206912300.db2.gz HYIZGBGTUZBIGO-UHFFFAOYSA-N 0 0 376.316 2.622 50 5 GFBARN C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000012783941 206936860 /nfs/dbraw/zinc/93/68/60/206936860.db2.gz ZQAQUGKNQPDSFB-RYUDHWBXSA-N 0 0 376.438 2.913 50 5 GFBARN CCN1C(=O)C(=Cc2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)NC1=S ZINC000017078025 207082764 /nfs/dbraw/zinc/08/27/64/207082764.db2.gz KBGYAMSOGKWCBC-WZUFQYTHSA-N 0 0 381.801 2.575 50 5 GFBARN Cc1cccn2cc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 ZINC000024984864 207298500 /nfs/dbraw/zinc/29/85/00/207298500.db2.gz YNINMIVEDSIZEO-UHFFFAOYSA-N 0 0 396.403 2.745 50 5 GFBARN O=C(NC1CCCC1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000038550770 207308153 /nfs/dbraw/zinc/30/81/53/207308153.db2.gz FGONHGQXTHVRLK-UHFFFAOYSA-N 0 0 375.454 2.979 50 5 GFBARN O=C(OCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000025049871 207300470 /nfs/dbraw/zinc/30/04/70/207300470.db2.gz JNSUEYNCWXOZRP-UHFFFAOYSA-N 0 0 390.367 2.806 50 5 GFBARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025168933 207301684 /nfs/dbraw/zinc/30/16/84/207301684.db2.gz XYJVOWIYOHGGRF-OAHLLOKOSA-N 0 0 376.434 2.999 50 5 GFBARN COc1ccc(CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1OC ZINC000048247240 207689828 /nfs/dbraw/zinc/68/98/28/207689828.db2.gz MTKOXPVPLNLWQK-UHFFFAOYSA-N 0 0 377.372 2.648 50 5 GFBARN COc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000048278750 207693019 /nfs/dbraw/zinc/69/30/19/207693019.db2.gz OBYAZZXROOTXQG-SFHVURJKSA-N 0 0 383.404 2.697 50 5 GFBARN C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000067828992 207910334 /nfs/dbraw/zinc/91/03/34/207910334.db2.gz UQBVHKNCXQCMMN-DJJJIMSYSA-N 0 0 384.388 2.968 50 5 GFBARN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000095445214 208183578 /nfs/dbraw/zinc/18/35/78/208183578.db2.gz GOBQTERLIORSNT-ZIAGYGMSSA-N 0 0 392.456 2.626 50 5 GFBARN CCOC(=O)c1ccnc(NCCc2nnc(-c3ccccc3)n2C)c1[N+](=O)[O-] ZINC000097379323 208354210 /nfs/dbraw/zinc/35/42/10/208354210.db2.gz IVIAWBMRWGYHJX-UHFFFAOYSA-N 0 0 396.407 2.617 50 5 GFBARN Cc1cc(C)n(Cc2ccc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000002765304 208506006 /nfs/dbraw/zinc/50/60/06/208506006.db2.gz YHMBOUGKGJJUDY-UHFFFAOYSA-N 0 0 382.424 2.908 50 5 GFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000032931905 208994369 /nfs/dbraw/zinc/99/43/69/208994369.db2.gz VGCNDHCUBDRUJQ-UHFFFAOYSA-N 0 0 390.812 2.955 50 5 GFBARN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815990 209020529 /nfs/dbraw/zinc/02/05/29/209020529.db2.gz SESCUVTUTUHSEW-XJKSGUPXSA-N 0 0 390.831 2.519 50 5 GFBARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006828734 220968257 /nfs/dbraw/zinc/96/82/57/220968257.db2.gz DDXHNBWFCKOLFC-UHFFFAOYSA-N 0 0 387.117 2.885 50 5 GFBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(OC)c1 ZINC000004902983 136194386 /nfs/dbraw/zinc/19/43/86/136194386.db2.gz BYDIPPAUUANFMH-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN COC(=O)CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000058055638 523058785 /nfs/dbraw/zinc/05/87/85/523058785.db2.gz JWOLPPWQXNCIJW-UHFFFAOYSA-N 0 0 386.408 2.728 50 5 GFBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Br)ccc1O ZINC000004873753 551095096 /nfs/dbraw/zinc/09/50/96/551095096.db2.gz VKCNWHSODZPDQW-UHFFFAOYSA-N 0 0 383.202 2.987 50 5 GFBARN O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000005014738 551096167 /nfs/dbraw/zinc/09/61/67/551096167.db2.gz KVJVQCCENFOCJC-UHFFFAOYSA-N 0 0 378.841 2.965 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cccc(Br)n2)cc([N+](=O)[O-])c1 ZINC000058381453 551182749 /nfs/dbraw/zinc/18/27/49/551182749.db2.gz GWEUZNXNXUXUAA-UHFFFAOYSA-N 0 0 380.154 2.791 50 5 GFBARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000071775250 570283516 /nfs/dbraw/zinc/28/35/16/570283516.db2.gz WENGPRASKCSXQI-UHFFFAOYSA-N 0 0 380.360 2.863 50 5 GFBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 ZINC000006270235 570354202 /nfs/dbraw/zinc/35/42/02/570354202.db2.gz XHFJAFYGTYSRMA-UHFFFAOYSA-N 0 0 381.436 2.552 50 5 GFBARN CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1 ZINC000004328523 570368183 /nfs/dbraw/zinc/36/81/83/570368183.db2.gz WXXVMSJTNLTDBK-UHFFFAOYSA-N 0 0 380.400 2.861 50 5 GFBARN COc1cc(NC(=O)COC(=O)c2cccnc2SC)c(C)cc1[N+](=O)[O-] ZINC000004947944 570379374 /nfs/dbraw/zinc/37/93/74/570379374.db2.gz GVAAOSTZDXWYDB-UHFFFAOYSA-N 0 0 391.405 2.824 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCOc1ccccc1 ZINC000006653055 570518705 /nfs/dbraw/zinc/51/87/05/570518705.db2.gz DMPOHVOPEWZLPW-UHFFFAOYSA-N 0 0 391.449 2.870 50 5 GFBARN COc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000005246114 570527021 /nfs/dbraw/zinc/52/70/21/570527021.db2.gz FEHMWJLVTBFGNU-SCRDCRAPSA-N 0 0 394.424 2.852 50 5 GFBARN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCCc1ccccc1 ZINC000032980109 570571629 /nfs/dbraw/zinc/57/16/29/570571629.db2.gz FKJCMWKAXRGIIU-UHFFFAOYSA-N 0 0 385.405 2.669 50 5 GFBARN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000006786029 570592582 /nfs/dbraw/zinc/59/25/82/570592582.db2.gz JHRQMHPYACFARX-UHFFFAOYSA-N 0 0 395.375 2.588 50 5 GFBARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006839635 570640560 /nfs/dbraw/zinc/64/05/60/570640560.db2.gz NAFARWPPZCBPNB-HNNXBMFYSA-N 0 0 392.751 2.570 50 5 GFBARN O=C1Nc2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c3cccc1c23 ZINC000000956950 570738366 /nfs/dbraw/zinc/73/83/66/570738366.db2.gz QFGHLRGYCNLOME-UHFFFAOYSA-N 0 0 383.385 2.792 50 5 GFBARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 ZINC000001002079 570745456 /nfs/dbraw/zinc/74/54/56/570745456.db2.gz DASXVPNFGQJQOQ-UHFFFAOYSA-N 0 0 384.348 2.780 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000007064016 570782369 /nfs/dbraw/zinc/78/23/69/570782369.db2.gz FDUCNSLOFQJVBZ-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001171048 570786939 /nfs/dbraw/zinc/78/69/39/570786939.db2.gz BBOUENIAIQGTKN-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000004496305 570816643 /nfs/dbraw/zinc/81/66/43/570816643.db2.gz JXNWWDWAHGNHFS-UHFFFAOYSA-N 0 0 382.369 2.545 50 5 GFBARN COC(=O)c1sccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012545686 570846559 /nfs/dbraw/zinc/84/65/59/570846559.db2.gz MPYPIRQMVYSROM-UHFFFAOYSA-N 0 0 390.421 2.797 50 5 GFBARN COc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000003442438 570869311 /nfs/dbraw/zinc/86/93/11/570869311.db2.gz IAKNXCQUJPIURB-UHFFFAOYSA-N 0 0 378.768 2.730 50 5 GFBARN COc1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000004834508 570897453 /nfs/dbraw/zinc/89/74/53/570897453.db2.gz YQFSMKLOBQNDOK-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001782137 570932289 /nfs/dbraw/zinc/93/22/89/570932289.db2.gz SZUYXYUNNOAPMM-SFHVURJKSA-N 0 0 381.388 2.980 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000023196066 570945975 /nfs/dbraw/zinc/94/59/75/570945975.db2.gz UJMLTOXSMKCZSF-UVBJJODRSA-N 0 0 397.859 2.686 50 5 GFBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)C1 ZINC000252444436 570957660 /nfs/dbraw/zinc/95/76/60/570957660.db2.gz BOSADZCWSQSUPB-QLFBSQMISA-N 0 0 397.497 2.852 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)c1nn(C)cc1[N+](=O)[O-])CCCC2 ZINC000001001099 206341339 /nfs/dbraw/zinc/34/13/39/206341339.db2.gz NBENHRHQPPFJSI-UHFFFAOYSA-N 0 0 378.410 2.698 50 5 GFBARN O=C(Nc1ccccc1C(=O)NCCc1ccncc1)c1ccc([N+](=O)[O-])o1 ZINC000001042568 206344748 /nfs/dbraw/zinc/34/47/48/206344748.db2.gz AEKNUUBCWJIIBM-UHFFFAOYSA-N 0 0 380.360 2.808 50 5 GFBARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000001112757 206353504 /nfs/dbraw/zinc/35/35/04/206353504.db2.gz FYNZETPACZNOSN-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN CSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001121886 206355263 /nfs/dbraw/zinc/35/52/63/206355263.db2.gz GHRKTYPOPBJPNM-UHFFFAOYSA-N 0 0 395.462 2.721 50 5 GFBARN COC(=O)c1cc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000001741709 206390263 /nfs/dbraw/zinc/39/02/63/206390263.db2.gz JYLZEFUCWGLAOC-UHFFFAOYSA-N 0 0 391.311 2.951 50 5 GFBARN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 ZINC000004349222 206516290 /nfs/dbraw/zinc/51/62/90/206516290.db2.gz PPBSKWDIGDVFRT-UHFFFAOYSA-N 0 0 384.421 2.999 50 5 GFBARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004825495 206558944 /nfs/dbraw/zinc/55/89/44/206558944.db2.gz BFUXIOYLQJJQQT-OAHLLOKOSA-N 0 0 375.406 2.808 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004953072 206576367 /nfs/dbraw/zinc/57/63/67/206576367.db2.gz XPGYAUMEHBNVHX-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN C[C@H]1CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005253082 206602041 /nfs/dbraw/zinc/60/20/41/206602041.db2.gz FNWFHUGYTWXRGK-QWRGUYRKSA-N 0 0 392.847 2.846 50 5 GFBARN CCCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@H]1CC ZINC000005423064 206611235 /nfs/dbraw/zinc/61/12/35/206611235.db2.gz RQEGWVQYAFMKLU-OAHLLOKOSA-N 0 0 376.409 2.968 50 5 GFBARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006602977 206656191 /nfs/dbraw/zinc/65/61/91/206656191.db2.gz QFHNKMGYCAKJKQ-UHFFFAOYSA-N 0 0 394.815 2.832 50 5 GFBARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012876391 206945113 /nfs/dbraw/zinc/94/51/13/206945113.db2.gz DBHMQGGCFJXYHW-UHFFFAOYSA-N 0 0 379.800 2.896 50 5 GFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1cccs1 ZINC000012904205 206950766 /nfs/dbraw/zinc/95/07/66/206950766.db2.gz SHOMEDSGWZZAMD-UHFFFAOYSA-N 0 0 399.432 2.660 50 5 GFBARN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000013001397 206963121 /nfs/dbraw/zinc/96/31/21/206963121.db2.gz CXAGUHKVKVQVLX-OWFXSXJRSA-N 0 0 397.431 2.664 50 5 GFBARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000013610463 206984210 /nfs/dbraw/zinc/98/42/10/206984210.db2.gz HXIVBJOSYASNMU-UHFFFAOYSA-N 0 0 389.433 2.949 50 5 GFBARN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000014015853 207008648 /nfs/dbraw/zinc/00/86/48/207008648.db2.gz AXTHEOORDCTJPG-LLVKDONJSA-N 0 0 394.405 2.708 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000015178522 207047657 /nfs/dbraw/zinc/04/76/57/207047657.db2.gz LKLOBJUUEJICKD-CYBMUJFWSA-N 0 0 391.449 2.678 50 5 GFBARN NC(=O)c1ccc(COC(=O)CCc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000016129678 207072853 /nfs/dbraw/zinc/07/28/53/207072853.db2.gz VVSAWAAVKMCSPC-UHFFFAOYSA-N 0 0 379.372 2.918 50 5 GFBARN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000016629041 207075317 /nfs/dbraw/zinc/07/53/17/207075317.db2.gz KDZFLXUZEAHQGB-CYBMUJFWSA-N 0 0 391.811 2.959 50 5 GFBARN COc1cccc(OC)c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019773472 207161891 /nfs/dbraw/zinc/16/18/91/207161891.db2.gz NKIGSKDNKQXQRD-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3n3nnnc23)c(Cl)c1 ZINC000020058988 207176262 /nfs/dbraw/zinc/17/62/62/207176262.db2.gz UWZGYUJCOLLDJY-UHFFFAOYSA-N 0 0 384.787 2.758 50 5 GFBARN CCOC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020849822 207215413 /nfs/dbraw/zinc/21/54/13/207215413.db2.gz YOGHDYCFAKTTSF-ZDUSSCGKSA-N 0 0 375.410 2.760 50 5 GFBARN CN(CCO)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2nonc2c1[N+](=O)[O-] ZINC000020680040 207209869 /nfs/dbraw/zinc/20/98/69/207209869.db2.gz FMUMRTXWWFAJPO-UHFFFAOYSA-N 0 0 391.365 2.619 50 5 GFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@](C)(c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021091301 207225314 /nfs/dbraw/zinc/22/53/14/207225314.db2.gz MHNFNCNAFXTSEW-IBGZPJMESA-N 0 0 383.360 2.933 50 5 GFBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000040071767 207337389 /nfs/dbraw/zinc/33/73/89/207337389.db2.gz MQOAIVGQXYIFMV-LBPRGKRZSA-N 0 0 389.433 2.983 50 5 GFBARN CN(Cc1nc(-c2cccnc2)no1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000072283701 207993191 /nfs/dbraw/zinc/99/31/91/207993191.db2.gz JYKBSNCIEZRQJT-UHFFFAOYSA-N 0 0 396.407 2.891 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](CCO)c1ccccc1 ZINC000079111847 208072426 /nfs/dbraw/zinc/07/24/26/208072426.db2.gz CVFNFDWSTXGBIH-CYBMUJFWSA-N 0 0 384.841 2.693 50 5 GFBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2nccs2)CC1 ZINC000095946898 208241336 /nfs/dbraw/zinc/24/13/36/208241336.db2.gz FSJUYOVERKKKSD-NSHDSACASA-N 0 0 395.872 2.854 50 5 GFBARN Cc1nc2n(n1)CCC[C@H]2NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097085754 208336998 /nfs/dbraw/zinc/33/69/98/208336998.db2.gz AVKQUIURMDLAIL-LLVKDONJSA-N 0 0 381.845 2.892 50 5 GFBARN CCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccc(C)cn1c2=O ZINC000100810668 208380828 /nfs/dbraw/zinc/38/08/28/208380828.db2.gz WGCPMLYHLVNHHR-UHFFFAOYSA-N 0 0 379.464 2.519 50 5 GFBARN O=C1c2cccc3cc(O)cc(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002898530 208506128 /nfs/dbraw/zinc/50/61/28/208506128.db2.gz PIFIYLBJJZQTLD-UHFFFAOYSA-N 0 0 395.283 2.952 50 5 GFBARN CCc1nc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000056518873 208845084 /nfs/dbraw/zinc/84/50/84/208845084.db2.gz QAYQGCQOMFMKQG-UHFFFAOYSA-N 0 0 375.454 2.963 50 5 GFBARN COc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000025326973 208877702 /nfs/dbraw/zinc/87/77/02/208877702.db2.gz QCTNXNLXQRAMJR-UHFFFAOYSA-N 0 0 383.404 2.769 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000106552677 136191744 /nfs/dbraw/zinc/19/17/44/136191744.db2.gz FAXMAECEODAVAP-MGPQQGTHSA-N 0 0 377.441 2.711 50 5 GFBARN CNC(=O)c1ccc(N2CCCC[C@@H]2c2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000095393711 536430372 /nfs/dbraw/zinc/43/03/72/536430372.db2.gz SZYXULBFZUKASE-OAHLLOKOSA-N 0 0 384.440 2.614 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)cc([N+](=O)[O-])c1 ZINC000040074590 536877068 /nfs/dbraw/zinc/87/70/68/536877068.db2.gz YNBDUOYFSQSZNQ-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1C ZINC000012999618 551108233 /nfs/dbraw/zinc/10/82/33/551108233.db2.gz ZYTLRWUYDHTCMN-UHFFFAOYSA-N 0 0 383.813 2.765 50 5 GFBARN Cc1nccn1-c1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000048309664 570232740 /nfs/dbraw/zinc/23/27/40/570232740.db2.gz YUKYILJKVHGRHN-UHFFFAOYSA-N 0 0 380.408 2.602 50 5 GFBARN CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000048326516 570237965 /nfs/dbraw/zinc/23/79/65/570237965.db2.gz WEELEAWQIAYWQW-UHFFFAOYSA-N 0 0 396.396 2.801 50 5 GFBARN C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006175582 570281360 /nfs/dbraw/zinc/28/13/60/570281360.db2.gz NJILHMXJBQFYKZ-RHSMWYFYSA-N 0 0 395.481 2.539 50 5 GFBARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000004835460 570310334 /nfs/dbraw/zinc/31/03/34/570310334.db2.gz KHRCIMOMHSKREL-UONOGXRCSA-N 0 0 377.441 2.903 50 5 GFBARN O=C(CCc1nc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004885694 570355211 /nfs/dbraw/zinc/35/52/11/570355211.db2.gz NRVYWJKYXRZHDH-UHFFFAOYSA-N 0 0 379.420 2.753 50 5 GFBARN O=C(COC(=O)c1cc(F)c(F)c(F)c1F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000051387413 570391797 /nfs/dbraw/zinc/39/17/97/570391797.db2.gz ZBYXUZRFDPKWMG-UHFFFAOYSA-N 0 0 398.268 2.897 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2cccc(O)c2)CC1 ZINC000006397761 570404639 /nfs/dbraw/zinc/40/46/39/570404639.db2.gz JMUHIDFZUASMKS-UHFFFAOYSA-N 0 0 388.449 2.828 50 5 GFBARN Cc1ccccc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000005207079 570506555 /nfs/dbraw/zinc/50/65/55/570506555.db2.gz GJERLMHUKBUPBB-UHFFFAOYSA-N 0 0 392.433 2.503 50 5 GFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccn(OCc2ccc(F)cc2)c1=O ZINC000004325907 570566905 /nfs/dbraw/zinc/56/69/05/570566905.db2.gz ACLURYOHUWNPHH-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006779522 570586384 /nfs/dbraw/zinc/58/63/84/570586384.db2.gz WLTYCWZKFGXUSE-UHFFFAOYSA-N 0 0 392.433 2.982 50 5 GFBARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000004581232 570630747 /nfs/dbraw/zinc/63/07/47/570630747.db2.gz RWWZXALQBYDZQJ-OUCADQQQSA-N 0 0 394.424 2.710 50 5 GFBARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036396955 570681235 /nfs/dbraw/zinc/68/12/35/570681235.db2.gz OAQLZXHTANCBED-UHFFFAOYSA-N 0 0 390.363 2.712 50 5 GFBARN CCCS(=O)(=O)c1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000025268504 570745452 /nfs/dbraw/zinc/74/54/52/570745452.db2.gz DLBDVNGRVGKEOZ-UHFFFAOYSA-N 0 0 391.449 2.620 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1ccc2c(c1)OCO2 ZINC000007156374 570805989 /nfs/dbraw/zinc/80/59/89/570805989.db2.gz CVQLUDGPRNYDOV-UHFFFAOYSA-N 0 0 391.405 2.852 50 5 GFBARN COc1cccc(N2C[C@@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000004497150 570812854 /nfs/dbraw/zinc/81/28/54/570812854.db2.gz VBQCIASPPXSUNJ-XMELGKRDSA-N 0 0 381.388 2.538 50 5 GFBARN Cn1ccnc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000005696080 570813585 /nfs/dbraw/zinc/81/35/85/570813585.db2.gz WSSMFKCACFWGLL-UHFFFAOYSA-N 0 0 382.467 2.654 50 5 GFBARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000004678177 570817723 /nfs/dbraw/zinc/81/77/23/570817723.db2.gz DOKAVOQXJYXHDM-UHFFFAOYSA-N 0 0 389.795 2.939 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCn2cnc3ccccc32)c1C ZINC000012522355 570828629 /nfs/dbraw/zinc/82/86/29/570828629.db2.gz RAKWQRKGBRZBGN-UHFFFAOYSA-N 0 0 388.449 2.930 50 5 GFBARN CC1CCN(S(=O)(=O)c2ccc(NCC[C@H]3CCCO3)c([N+](=O)[O-])c2)CC1 ZINC000012562057 570866257 /nfs/dbraw/zinc/86/62/57/570866257.db2.gz BLYBWPYQCAZTJM-OAHLLOKOSA-N 0 0 397.497 2.996 50 5 GFBARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000007549269 570878821 /nfs/dbraw/zinc/87/88/21/570878821.db2.gz DFFSMERWQGAADF-UHFFFAOYSA-N 0 0 386.404 2.884 50 5 GFBARN COCCn1c(C)c(C)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000032893941 570890682 /nfs/dbraw/zinc/89/06/82/570890682.db2.gz DBDAAXGLQCEABN-UHFFFAOYSA-N 0 0 394.453 2.794 50 5 GFBARN COCCNc1nnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000012621817 570899472 /nfs/dbraw/zinc/89/94/72/570899472.db2.gz SDPNJKLWIGJQEH-VIFPVBQESA-N 0 0 383.455 2.624 50 5 GFBARN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)cc1 ZINC000004740995 570954755 /nfs/dbraw/zinc/95/47/55/570954755.db2.gz MEANFDDLQICBHH-UHFFFAOYSA-N 0 0 384.436 2.998 50 5 GFBARN CN1C2=C(C(=O)N(CCc3ccccc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004752148 570963966 /nfs/dbraw/zinc/96/39/66/570963966.db2.gz VWYUVSKGJABZRZ-LJQANCHMSA-N 0 0 392.415 2.630 50 5 GFBARN O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000004763890 570970727 /nfs/dbraw/zinc/97/07/27/570970727.db2.gz QKYGIWMWWUPVCB-UHFFFAOYSA-N 0 0 376.735 2.680 50 5 GFBARN O=C(OCc1cnn(-c2ccccc2)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000012786413 571039278 /nfs/dbraw/zinc/03/92/78/571039278.db2.gz ADQQRQNCCXKQRF-UHFFFAOYSA-N 0 0 381.344 2.909 50 5 GFBARN COc1ccc([C@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])cc1OC ZINC000000716305 206319419 /nfs/dbraw/zinc/31/94/19/206319419.db2.gz LNSLZEFGXCUFTH-HNNXBMFYSA-N 0 0 396.355 2.739 50 5 GFBARN CCOc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000001089634 206350751 /nfs/dbraw/zinc/35/07/51/206350751.db2.gz JGIPUENMOZNSDV-UHFFFAOYSA-N 0 0 394.449 2.913 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000009895382 206373155 /nfs/dbraw/zinc/37/31/55/206373155.db2.gz SJOFZOGCSHPILF-INIZCTEOSA-N 0 0 383.404 2.697 50 5 GFBARN O=C(c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001208546 206368352 /nfs/dbraw/zinc/36/83/52/206368352.db2.gz JRLJUBSNTYUYNC-OAHLLOKOSA-N 0 0 380.356 2.601 50 5 GFBARN CCOc1ccc(NC(=O)C[C@H]([NH2+]Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000010434204 206392290 /nfs/dbraw/zinc/39/22/90/206392290.db2.gz FNHPAYNANLXJEN-INIZCTEOSA-N 0 0 387.392 2.565 50 5 GFBARN Cc1cc(C)c(C)c(S(=O)(=O)N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C ZINC000003426223 206479710 /nfs/dbraw/zinc/47/97/10/206479710.db2.gz XKKLCHJGMDJJRP-UHFFFAOYSA-N 0 0 388.401 2.813 50 5 GFBARN CC(C)(C)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000004581411 206532026 /nfs/dbraw/zinc/53/20/26/206532026.db2.gz BGEBNCFBGNHABL-ZQUAPKCZSA-N 0 0 383.408 2.569 50 5 GFBARN O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004864654 206563633 /nfs/dbraw/zinc/56/36/33/206563633.db2.gz NOBKPOVENXSQGQ-UHFFFAOYSA-N 0 0 394.796 2.682 50 5 GFBARN COc1cc2c(cc1OC)CN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000007005454 206699099 /nfs/dbraw/zinc/69/90/99/206699099.db2.gz INKQRRLPVYGOIB-UHFFFAOYSA-N 0 0 390.367 2.715 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccccn1 ZINC000012636857 206922241 /nfs/dbraw/zinc/92/22/41/206922241.db2.gz BFDFXKQIGDZGBT-UHFFFAOYSA-N 0 0 390.465 2.819 50 5 GFBARN O=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000016084041 207071597 /nfs/dbraw/zinc/07/15/97/207071597.db2.gz ROLGKJGEYURWOF-UHFFFAOYSA-N 0 0 386.179 2.938 50 5 GFBARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019551561 207133142 /nfs/dbraw/zinc/13/31/42/207133142.db2.gz HDHPISQVAHJJFB-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000019851088 207167250 /nfs/dbraw/zinc/16/72/50/207167250.db2.gz RNANTQZKDADKDO-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000022299238 207251505 /nfs/dbraw/zinc/25/15/05/207251505.db2.gz MPKWTWMJONHUIO-VXGBXAGGSA-N 0 0 376.438 2.913 50 5 GFBARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000040130877 207345805 /nfs/dbraw/zinc/34/58/05/207345805.db2.gz PRUUVVYIYMNRBO-UHFFFAOYSA-N 0 0 375.381 2.904 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1Br ZINC000095481777 208195512 /nfs/dbraw/zinc/19/55/12/208195512.db2.gz NAEQAHCDEQFMRS-UHFFFAOYSA-N 0 0 382.195 2.918 50 5 GFBARN O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096010258 208252812 /nfs/dbraw/zinc/25/28/12/208252812.db2.gz FVBLCJFKKHKBBS-HNNXBMFYSA-N 0 0 386.314 2.922 50 5 GFBARN COc1cc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O ZINC000097966157 208364444 /nfs/dbraw/zinc/36/44/44/208364444.db2.gz OUZLLAKEIKMUKZ-UHFFFAOYSA-N 0 0 387.436 2.635 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006050379 220915578 /nfs/dbraw/zinc/91/55/78/220915578.db2.gz JCMXNQXJHCSEAE-KRWDZBQOSA-N 0 0 396.359 2.590 50 5 GFBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(N2CCOCC2)s1 ZINC000097987499 209016933 /nfs/dbraw/zinc/01/69/33/209016933.db2.gz AXWIZPFIRPJAIR-RVDMUPIBSA-N 0 0 385.401 2.837 50 5 GFBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040133355 132398898 /nfs/dbraw/zinc/39/88/98/132398898.db2.gz LJZBKBTVTBTPOP-AWEZNQCLSA-N 0 0 389.843 2.913 50 5 GFBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)c(F)c1F ZINC000058160163 136154635 /nfs/dbraw/zinc/15/46/35/136154635.db2.gz SMKQYSRXDKMZHX-UHFFFAOYSA-N 0 0 394.353 2.773 50 5 GFBARN CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000043827701 534840394 /nfs/dbraw/zinc/84/03/94/534840394.db2.gz JKMCDPYFBNSYTM-UHFFFAOYSA-N 0 0 387.234 2.809 50 5 GFBARN O=C(COC(=O)c1ccccc1O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004915217 551095351 /nfs/dbraw/zinc/09/53/51/551095351.db2.gz SQQRGEFAPYKFKY-UHFFFAOYSA-N 0 0 395.165 2.858 50 5 GFBARN CC(C)N1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595067 551635445 /nfs/dbraw/zinc/63/54/45/551635445.db2.gz JKBNMDJRCQHGKO-SNVBAGLBSA-N 0 0 381.376 2.783 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000047687670 570214212 /nfs/dbraw/zinc/21/42/12/570214212.db2.gz YDNBNLPUNBOLKV-UHFFFAOYSA-N 0 0 391.355 2.973 50 5 GFBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000004966358 570383632 /nfs/dbraw/zinc/38/36/32/570383632.db2.gz RPUVGNSBRFVTIO-UHFFFAOYSA-N 0 0 390.417 2.736 50 5 GFBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000005020193 570397951 /nfs/dbraw/zinc/39/79/51/570397951.db2.gz WEIGBUYRBBCLMJ-UHFFFAOYSA-N 0 0 390.735 2.619 50 5 GFBARN O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc([N+](=O)[O-])c1 ZINC000005056775 570407266 /nfs/dbraw/zinc/40/72/66/570407266.db2.gz BCARGYDTKFJLPP-UHFFFAOYSA-N 0 0 382.767 2.587 50 5 GFBARN Cc1nn(C)c2ncc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)cc12 ZINC000032952309 570429244 /nfs/dbraw/zinc/42/92/44/570429244.db2.gz CVXVWZIBILQBSP-UHFFFAOYSA-N 0 0 377.364 2.623 50 5 GFBARN Cc1ccccc1COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000006557893 570476568 /nfs/dbraw/zinc/47/65/68/570476568.db2.gz NVSSUKJCUYOQKF-UHFFFAOYSA-N 0 0 385.405 2.935 50 5 GFBARN O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1nc2ccccc2s1 ZINC000006601940 570490894 /nfs/dbraw/zinc/49/08/94/570490894.db2.gz JTTJSYAJEWRNIJ-UHFFFAOYSA-N 0 0 387.373 2.765 50 5 GFBARN COc1ccc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)cc1 ZINC000024308825 570497945 /nfs/dbraw/zinc/49/79/45/570497945.db2.gz ULNPPBRLVJHEBZ-UHFFFAOYSA-N 0 0 398.463 2.627 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCOc1ccccc1 ZINC000005207212 570506492 /nfs/dbraw/zinc/50/64/92/570506492.db2.gz PRMDBEUFXCIABH-UHFFFAOYSA-N 0 0 392.433 2.837 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC1 ZINC000005262076 570531719 /nfs/dbraw/zinc/53/17/19/570531719.db2.gz LCFUKOLKNULBDG-INIZCTEOSA-N 0 0 398.463 2.748 50 5 GFBARN Cc1nn(CN2CCC(NC(=O)OC(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000072312387 570648686 /nfs/dbraw/zinc/64/86/86/570648686.db2.gz TZFUDQGAQJZVJX-UHFFFAOYSA-N 0 0 390.444 2.595 50 5 GFBARN CC1CCC(NS(=O)(=O)c2ccc(Nc3cn[nH]c3)c([N+](=O)[O-])c2)CC1 ZINC000036395300 570679075 /nfs/dbraw/zinc/67/90/75/570679075.db2.gz KMACKDDUYXVHPI-UHFFFAOYSA-N 0 0 379.442 2.919 50 5 GFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036395288 570679294 /nfs/dbraw/zinc/67/92/94/570679294.db2.gz SKQASMYHQOLTOZ-GFCCVEGCSA-N 0 0 391.391 2.885 50 5 GFBARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100875998 570778676 /nfs/dbraw/zinc/77/86/76/570778676.db2.gz CLHAYLKOQQDMNQ-HNENSFHCSA-N 0 0 385.401 2.834 50 5 GFBARN COc1cccc(CNC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007108022 570791312 /nfs/dbraw/zinc/79/13/12/570791312.db2.gz DEBJGQJDTZYIAP-UHFFFAOYSA-N 0 0 378.768 2.730 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 ZINC000007191576 570813026 /nfs/dbraw/zinc/81/30/26/570813026.db2.gz DCZCTPZVACOCOX-AWEZNQCLSA-N 0 0 393.440 2.601 50 5 GFBARN COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000007218516 570816780 /nfs/dbraw/zinc/81/67/80/570816780.db2.gz FQMAQWAHXLEFIV-UHFFFAOYSA-N 0 0 380.422 2.741 50 5 GFBARN Cc1ccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1[N+](=O)[O-] ZINC000012506983 570822662 /nfs/dbraw/zinc/82/26/62/570822662.db2.gz JKHXEOBBOYZJQQ-QGZVFWFLSA-N 0 0 394.391 2.511 50 5 GFBARN O=C(c1ccccc1)c1ccc(N2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000012527445 570832106 /nfs/dbraw/zinc/83/21/06/570832106.db2.gz BWZXZHLZEFFCAI-UHFFFAOYSA-N 0 0 379.416 2.884 50 5 GFBARN NS(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000012537766 570837176 /nfs/dbraw/zinc/83/71/76/570837176.db2.gz JTMZZZYPZHEHGA-UHFFFAOYSA-N 0 0 375.328 2.873 50 5 GFBARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1=O ZINC000007421946 570840417 /nfs/dbraw/zinc/84/04/17/570840417.db2.gz IFYFKPCIAFIAGV-UHFFFAOYSA-N 0 0 396.407 2.604 50 5 GFBARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000012540877 570840694 /nfs/dbraw/zinc/84/06/94/570840694.db2.gz RWWZXALQBYDZQJ-SGMGOOAPSA-N 0 0 394.424 2.710 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000003275537 570847839 /nfs/dbraw/zinc/84/78/39/570847839.db2.gz XKBOTNXOCVPBBX-UHFFFAOYSA-N 0 0 381.344 2.947 50 5 GFBARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103541924 570886222 /nfs/dbraw/zinc/88/62/22/570886222.db2.gz CLZVPFLJJJAYNG-DZGCQCFKSA-N 0 0 389.726 2.680 50 5 GFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N1CCc2ccccc21 ZINC000010050929 570891312 /nfs/dbraw/zinc/89/13/12/570891312.db2.gz KEEFDWQNRNTSIQ-ZDUSSCGKSA-N 0 0 383.404 2.795 50 5 GFBARN Cc1cc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000022610603 570914047 /nfs/dbraw/zinc/91/40/47/570914047.db2.gz AKFBLLOQOTUERN-KBPBESRZSA-N 0 0 381.432 2.697 50 5 GFBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012646076 570934281 /nfs/dbraw/zinc/93/42/81/570934281.db2.gz NEVQUDAGBOTAIM-UHFFFAOYSA-N 0 0 381.396 2.669 50 5 GFBARN CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C ZINC000170646212 570983244 /nfs/dbraw/zinc/98/32/44/570983244.db2.gz IUJNQMFUPPEYIB-YLJYHZDGSA-N 0 0 391.468 2.707 50 5 GFBARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)C1 ZINC000004770009 570996215 /nfs/dbraw/zinc/99/62/15/570996215.db2.gz CEXXYGWFJUELEA-LBPRGKRZSA-N 0 0 391.880 2.922 50 5 GFBARN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000045799118 570997111 /nfs/dbraw/zinc/99/71/11/570997111.db2.gz WXUBNFCKIHBUNN-UHFFFAOYSA-N 0 0 389.477 2.633 50 5 GFBARN O=C(CC[C@H]1CCCOC1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000170652317 570998546 /nfs/dbraw/zinc/99/85/46/570998546.db2.gz ATPBRHXIWGBVLX-OAHLLOKOSA-N 0 0 377.441 2.956 50 5 GFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccn(Cc2ccccc2C)n1 ZINC000000647400 206312213 /nfs/dbraw/zinc/31/22/13/206312213.db2.gz SVCKQSBVIWDHRP-UHFFFAOYSA-N 0 0 388.815 2.945 50 5 GFBARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000670974 206314211 /nfs/dbraw/zinc/31/42/11/206314211.db2.gz WNTGCUGAQJROHV-UHFFFAOYSA-N 0 0 391.405 2.705 50 5 GFBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001111849 206353370 /nfs/dbraw/zinc/35/33/70/206353370.db2.gz YWQMNRUWWANENM-LLVKDONJSA-N 0 0 397.362 2.698 50 5 GFBARN CN1CCN(c2cc(C(F)(F)F)cnc2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001401437 206379810 /nfs/dbraw/zinc/37/98/10/206379810.db2.gz PQVMMGQOKSEWDJ-UHFFFAOYSA-N 0 0 394.353 2.991 50 5 GFBARN COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC ZINC000001139824 206358688 /nfs/dbraw/zinc/35/86/88/206358688.db2.gz WWQGPCZPSIRUIF-UHFFFAOYSA-N 0 0 389.383 2.714 50 5 GFBARN Cc1c(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cccc1[N+](=O)[O-] ZINC000002725061 206430481 /nfs/dbraw/zinc/43/04/81/206430481.db2.gz SAQVVBSHWVZSSQ-SANMLTNESA-N 0 0 376.438 2.869 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC000002873611 206443159 /nfs/dbraw/zinc/44/31/59/206443159.db2.gz BNJZQZDHDQZTFK-UHFFFAOYSA-N 0 0 385.376 2.772 50 5 GFBARN CC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002959148 206449935 /nfs/dbraw/zinc/44/99/35/206449935.db2.gz ZCBOKNDHEUTLKD-AWEZNQCLSA-N 0 0 391.449 2.705 50 5 GFBARN C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011458317 206825509 /nfs/dbraw/zinc/82/55/09/206825509.db2.gz GMZKNTOLQRFXOT-NSHDSACASA-N 0 0 381.344 2.620 50 5 GFBARN O=C(NCc1nnc2ccccn21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012551772 206910996 /nfs/dbraw/zinc/91/09/96/206910996.db2.gz HNDQGHIOPIHUJQ-UHFFFAOYSA-N 0 0 380.408 2.558 50 5 GFBARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000018094623 207092436 /nfs/dbraw/zinc/09/24/36/207092436.db2.gz LKMRPJZDARHTCY-UHFFFAOYSA-N 0 0 399.403 2.775 50 5 GFBARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018227926 207097365 /nfs/dbraw/zinc/09/73/65/207097365.db2.gz MXCFKHCIFMWZLC-BETUJISGSA-N 0 0 391.811 2.918 50 5 GFBARN CN[C@H](c1nnnn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000019907499 207169491 /nfs/dbraw/zinc/16/94/91/207169491.db2.gz AOOYOZZBDLZJGC-AWEZNQCLSA-N 0 0 389.213 2.642 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000020509743 207199404 /nfs/dbraw/zinc/19/94/04/207199404.db2.gz MLWBZBOHEWKEFN-UHFFFAOYSA-N 0 0 394.387 2.902 50 5 GFBARN CN(CCO)c1cc(Sc2nc3ccccc3o2)c2nonc2c1[N+](=O)[O-] ZINC000020680032 207210058 /nfs/dbraw/zinc/21/00/58/207210058.db2.gz LYXGOBNRZBAFAX-UHFFFAOYSA-N 0 0 387.377 2.852 50 5 GFBARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000021525913 207231565 /nfs/dbraw/zinc/23/15/65/207231565.db2.gz MBYHGOKLRUQPIT-KBPBESRZSA-N 0 0 390.484 2.787 50 5 GFBARN CS(=O)(=O)Nc1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000024889281 207297823 /nfs/dbraw/zinc/29/78/23/207297823.db2.gz DAEDSNCGXNJGPX-UHFFFAOYSA-N 0 0 392.437 2.797 50 5 GFBARN O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(/C=C/c3cccs3)nn12 ZINC000027021966 207322343 /nfs/dbraw/zinc/32/23/43/207322343.db2.gz PEYIFDCOXVOLCO-FAGQLRNJSA-N 0 0 382.426 2.839 50 5 GFBARN O=C(/C=C/c1cccs1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040118503 207342670 /nfs/dbraw/zinc/34/26/70/207342670.db2.gz QLFLHOWEATYWEU-BQYQJAHWSA-N 0 0 385.445 2.583 50 5 GFBARN C[C@]1(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCc2ccccc21 ZINC000095958474 208244993 /nfs/dbraw/zinc/24/49/93/208244993.db2.gz FNRBETTWUUCFTO-FQEVSTJZSA-N 0 0 381.388 2.871 50 5 GFBARN COCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccco1 ZINC000096203357 208285547 /nfs/dbraw/zinc/28/55/47/208285547.db2.gz POFLVXKMZKTWLZ-UHFFFAOYSA-N 0 0 386.364 2.569 50 5 GFBARN O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1nc2c(s1)CCC2 ZINC000096223726 208288534 /nfs/dbraw/zinc/28/85/34/208288534.db2.gz LWYFNMFMAIIHDI-UHFFFAOYSA-N 0 0 399.432 2.669 50 5 GFBARN CC(=O)c1cnccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000097105638 208336236 /nfs/dbraw/zinc/33/62/36/208336236.db2.gz NPLJMVPVROXNFO-UHFFFAOYSA-N 0 0 398.404 2.724 50 5 GFBARN C[C@@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005738989 208673883 /nfs/dbraw/zinc/67/38/83/208673883.db2.gz JRGBAZJJVPUTFL-LLVKDONJSA-N 0 0 382.328 2.885 50 5 GFBARN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000018109297 208803469 /nfs/dbraw/zinc/80/34/69/208803469.db2.gz ZFNFQBZTPMJFRA-NSHDSACASA-N 0 0 386.360 2.644 50 5 GFBARN C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023076357 208860111 /nfs/dbraw/zinc/86/01/11/208860111.db2.gz IJZFFURYGGHPQU-ZDUSSCGKSA-N 0 0 397.387 2.906 50 5 GFBARN O=C(CCn1ccc([N+](=O)[O-])n1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000006828575 220968269 /nfs/dbraw/zinc/96/82/69/220968269.db2.gz VNDMJCNRRWDRRR-UHFFFAOYSA-N 0 0 384.440 2.942 50 5 GFBARN COc1cc(OC)cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 ZINC000016471362 221363337 /nfs/dbraw/zinc/36/33/37/221363337.db2.gz AGIPWEASYLXQLZ-SFHVURJKSA-N 0 0 396.403 2.865 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1ccoc1 ZINC000048262997 570224964 /nfs/dbraw/zinc/22/49/64/570224964.db2.gz QASBBZZDCCLGLY-HNNXBMFYSA-N 0 0 379.800 2.912 50 5 GFBARN Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000048365944 570245890 /nfs/dbraw/zinc/24/58/90/570245890.db2.gz VATPXQSCXOTBEA-UHFFFAOYSA-N 0 0 396.447 2.736 50 5 GFBARN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006175581 570281327 /nfs/dbraw/zinc/28/13/27/570281327.db2.gz NJILHMXJBQFYKZ-PBHICJAKSA-N 0 0 395.481 2.539 50 5 GFBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)c1cc(=O)c2ccccc2o1 ZINC000011667498 570297348 /nfs/dbraw/zinc/29/73/48/570297348.db2.gz HXDYCMICGSDUMY-VHEBQXMUSA-N 0 0 381.369 2.996 50 5 GFBARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006262627 570352557 /nfs/dbraw/zinc/35/25/57/570352557.db2.gz TYVNUTQTQXSLEG-MRVPVSSYSA-N 0 0 391.453 2.882 50 5 GFBARN C[C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593287 570399194 /nfs/dbraw/zinc/39/91/94/570399194.db2.gz TUHWLSCTTFSKOE-ZBFHGGJFSA-N 0 0 396.513 2.522 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000005181300 570495838 /nfs/dbraw/zinc/49/58/38/570495838.db2.gz GFTSBSZENZHFKB-UHFFFAOYSA-N 0 0 376.369 2.899 50 5 GFBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681340 570601689 /nfs/dbraw/zinc/60/16/89/570601689.db2.gz LOBXIYNHRZDIEH-QUCCMNQESA-N 0 0 398.438 2.738 50 5 GFBARN CCN(CC)C(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000005623693 570672659 /nfs/dbraw/zinc/67/26/59/570672659.db2.gz OPCSSUGLYGIHMW-AWEZNQCLSA-N 0 0 377.441 2.856 50 5 GFBARN C[C@@H](OC(=O)CN1CCCCCC1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017728030 570707459 /nfs/dbraw/zinc/70/74/59/570707459.db2.gz XRLYYEQWDYHCAQ-GFCCVEGCSA-N 0 0 388.380 2.652 50 5 GFBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C(=O)N(C)C)cc1OC ZINC000025222706 570742556 /nfs/dbraw/zinc/74/25/56/570742556.db2.gz OYEVAPZHYGAURT-UHFFFAOYSA-N 0 0 393.421 2.936 50 5 GFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@@H](O)COc1cccc2ccccc21 ZINC000007137743 570804687 /nfs/dbraw/zinc/80/46/87/570804687.db2.gz LDQNJYOOKATSKH-OAHLLOKOSA-N 0 0 392.367 2.784 50 5 GFBARN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005978137 570811086 /nfs/dbraw/zinc/81/10/86/570811086.db2.gz HKSPKIMWVKNUML-UHFFFAOYSA-N 0 0 377.571 2.750 50 5 GFBARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000239358404 570827128 /nfs/dbraw/zinc/82/71/28/570827128.db2.gz NELMJURKBWYMHB-ZLKJLUDKSA-N 0 0 391.811 2.748 50 5 GFBARN CNS(=O)(=O)c1ccc(NCCCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC000012522973 570829401 /nfs/dbraw/zinc/82/94/01/570829401.db2.gz RLGQODNSOFYCQG-UHFFFAOYSA-N 0 0 379.438 2.522 50 5 GFBARN Cc1ccn([C@H](C(=O)c2cccc([N+](=O)[O-])c2)C(=O)N2CCC(C)CC2)c(=O)c1 ZINC000004682135 570829957 /nfs/dbraw/zinc/82/99/57/570829957.db2.gz SWCPAIMJGYEKLD-LJQANCHMSA-N 0 0 397.431 2.747 50 5 GFBARN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004702325 570842869 /nfs/dbraw/zinc/84/28/69/570842869.db2.gz UAYFIJSISCJIOZ-UHFFFAOYSA-N 0 0 384.461 2.740 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1ccc([N+](=O)[O-])n1)CCCCC2 ZINC000004698572 570842878 /nfs/dbraw/zinc/84/28/78/570842878.db2.gz FMWIIJHPRRLRCM-UHFFFAOYSA-N 0 0 392.437 2.937 50 5 GFBARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102440380 570849144 /nfs/dbraw/zinc/84/91/44/570849144.db2.gz JIBXTJFVYZVKNE-RYUDHWBXSA-N 0 0 379.800 2.752 50 5 GFBARN COCc1cc(C)nc2sc3c(nc(-c4ccc([N+](=O)[O-])cc4)n(N)c3=O)c21 ZINC000004709901 570855583 /nfs/dbraw/zinc/85/55/83/570855583.db2.gz OFNRQWTVFWDMEK-UHFFFAOYSA-N 0 0 397.416 2.750 50 5 GFBARN Cc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)sc1CC(N)=O ZINC000031849810 570899336 /nfs/dbraw/zinc/89/93/36/570899336.db2.gz HNMRFPIYCGOYSS-UHFFFAOYSA-N 0 0 391.434 2.730 50 5 GFBARN Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004754908 570963586 /nfs/dbraw/zinc/96/35/86/570963586.db2.gz GTBALORBKZQQKY-UHFFFAOYSA-N 0 0 384.461 2.740 50 5 GFBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)C1 ZINC000004770007 570996085 /nfs/dbraw/zinc/99/60/85/570996085.db2.gz CEXXYGWFJUELEA-GFCCVEGCSA-N 0 0 391.880 2.922 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1 ZINC000004811003 570997613 /nfs/dbraw/zinc/99/76/13/570997613.db2.gz RBFUWEFMMAOSCX-GOSISDBHSA-N 0 0 396.403 2.548 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016753274 210196994 /nfs/dbraw/zinc/19/69/94/210196994.db2.gz SFBRJKMXZXGOGJ-AWEZNQCLSA-N 0 0 392.408 2.563 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000010668289 209865319 /nfs/dbraw/zinc/86/53/19/209865319.db2.gz FACNNIAOZHNUTH-UHFFFAOYSA-N 0 0 389.433 2.730 50 5 GFBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccn1 ZINC000009112500 209812173 /nfs/dbraw/zinc/81/21/73/209812173.db2.gz FVZIMEKAPBFTKZ-UHFFFAOYSA-N 0 0 383.330 2.920 50 5 GFBARN COc1ccc(CNC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000008134142 209764582 /nfs/dbraw/zinc/76/45/82/209764582.db2.gz ZUFLTTFVCKSUTJ-GQCTYLIASA-N 0 0 386.360 2.670 50 5 GFBARN Cc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000007718536 209741430 /nfs/dbraw/zinc/74/14/30/209741430.db2.gz OLZBTYICVLVKMC-IRXDYDNUSA-N 0 0 387.417 2.515 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc([N+](=O)[O-])c1 ZINC000006987630 209713082 /nfs/dbraw/zinc/71/30/82/209713082.db2.gz OUBDNLZARGZZMX-UHFFFAOYSA-N 0 0 383.360 2.761 50 5 GFBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1[C@@]1(O)c2cc(Cl)ccc2NC1=O ZINC000006848174 209697163 /nfs/dbraw/zinc/69/71/63/209697163.db2.gz MCIHXBKBNNINQO-SFHVURJKSA-N 0 0 399.794 2.513 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCC1 ZINC000005688956 209609344 /nfs/dbraw/zinc/60/93/44/209609344.db2.gz LQQMXLVHMWKEIG-UHFFFAOYSA-N 0 0 383.404 2.986 50 5 GFBARN COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC(C)C)cc1 ZINC000005498205 209599568 /nfs/dbraw/zinc/59/95/68/209599568.db2.gz OVJQGCAFKFTPKJ-LDADJPATSA-N 0 0 383.404 2.899 50 5 GFBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccccc3Cl)[n+]2[O-])cc1 ZINC000005005451 209558586 /nfs/dbraw/zinc/55/85/86/209558586.db2.gz DGFVJVZYPOUAKK-UHFFFAOYSA-N 0 0 375.772 2.688 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])cc1C ZINC000004515960 209492305 /nfs/dbraw/zinc/49/23/05/209492305.db2.gz QPLWOEJFMZIWFA-ORAYPTAESA-N 0 0 388.424 2.651 50 5 GFBARN O=C(N[C@@]1(C(F)(F)F)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O1)c1ccccc1 ZINC000003065929 209410113 /nfs/dbraw/zinc/41/01/13/209410113.db2.gz MZHYOTGCEGZXIM-HNNXBMFYSA-N 0 0 399.237 2.920 50 5 GFBARN CCN(CC)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000002474889 209366579 /nfs/dbraw/zinc/36/65/79/209366579.db2.gz MZIXULZMDVDHEF-UHFFFAOYSA-N 0 0 391.449 2.659 50 5 GFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1F ZINC000002334383 209356844 /nfs/dbraw/zinc/35/68/44/209356844.db2.gz OAOZHBBAYYTCHP-UHFFFAOYSA-N 0 0 379.391 2.701 50 5 GFBARN NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000002091834 209346701 /nfs/dbraw/zinc/34/67/01/209346701.db2.gz YIGSAVCPKJNIRE-UHFFFAOYSA-N 0 0 390.377 2.795 50 5 GFBARN Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000001200324 209313586 /nfs/dbraw/zinc/31/35/86/209313586.db2.gz YNHQNQKQMBLODK-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN COC(=O)c1ccc(Oc2cc(C(=O)OC)cc(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000001085072 209297773 /nfs/dbraw/zinc/29/77/73/209297773.db2.gz NZUIFJUDFWPJPN-UHFFFAOYSA-N 0 0 389.316 2.747 50 5 GFBARN COCc1cc(C)nc2sc3c(nnn(-c4ccc([N+](=O)[O-])cc4)c3=O)c21 ZINC000000969349 209285229 /nfs/dbraw/zinc/28/52/29/209285229.db2.gz CJXKAMCCLAJSLO-UHFFFAOYSA-N 0 0 383.389 2.753 50 5 GFBARN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H](c1ccccc1)N1CCCN12 ZINC000019172378 209182055 /nfs/dbraw/zinc/18/20/55/209182055.db2.gz HWDLCTYLUFEHHW-WAOWUJCRSA-N 0 0 392.415 2.521 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000101359596 211399008 /nfs/dbraw/zinc/39/90/08/211399008.db2.gz CMMXSEOCUPJBKC-CRJCFHLZSA-N 0 0 393.193 2.580 50 5 GFBARN Cc1ccc(S(=O)(=O)Nc2c[nH]cc(Br)c2=O)cc1[N+](=O)[O-] ZINC000095460447 211244406 /nfs/dbraw/zinc/24/44/06/211244406.db2.gz GDMMBGIEBJCFNN-UHFFFAOYSA-N 0 0 388.199 2.567 50 5 GFBARN COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000072313085 211088219 /nfs/dbraw/zinc/08/82/19/211088219.db2.gz MSGROXWXEUTWTR-SUMWQHHRSA-N 0 0 392.433 2.732 50 5 GFBARN Cc1c(CS(=O)(=O)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000048717034 210857242 /nfs/dbraw/zinc/85/72/42/210857242.db2.gz XORSEDBNYNGPTN-QAPCUYQASA-N 0 0 394.493 2.999 50 5 GFBARN CCOC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C(C)C)CC1 ZINC000020893397 210366383 /nfs/dbraw/zinc/36/63/83/210366383.db2.gz FGZIYCXABMHDIW-UHFFFAOYSA-N 0 0 375.429 2.800 50 5 GFBARN O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020177266 210321971 /nfs/dbraw/zinc/32/19/71/210321971.db2.gz VHWPFXCLKUFUFS-UHFFFAOYSA-N 0 0 391.431 2.943 50 5 GFBARN Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccccc2Br)o1 ZINC000001427916 220497624 /nfs/dbraw/zinc/49/76/24/220497624.db2.gz HUDKGFOXLOCAHD-UHFFFAOYSA-N 0 0 383.187 2.687 50 5 GFBARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000009112048 221070836 /nfs/dbraw/zinc/07/08/36/221070836.db2.gz RCRJQPDBITWPCC-UHFFFAOYSA-N 0 0 380.360 2.781 50 5 GFBARN Cc1ccccc1OCCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000009053984 221068750 /nfs/dbraw/zinc/06/87/50/221068750.db2.gz QWXZGDFGEILMCA-UHFFFAOYSA-N 0 0 381.392 2.635 50 5 GFBARN COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@@H]4[C@@]2(C)[C@@H](C[N@@+]4([O-])C[C@H]1C)CC3 ZINC000252494900 533270058 /nfs/dbraw/zinc/27/00/58/533270058.db2.gz OHPSOIUFKKLGIW-DLKKKELNSA-N 0 0 399.487 2.872 50 5 GFBARN C[C@@H]1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096230645 136185372 /nfs/dbraw/zinc/18/53/72/136185372.db2.gz ZALATBGCGXLZPE-LLVKDONJSA-N 0 0 375.331 2.751 50 5 GFBARN Cc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000033004118 551132391 /nfs/dbraw/zinc/13/23/91/551132391.db2.gz HBCGBUGWMJVDAA-UHFFFAOYSA-N 0 0 378.395 2.536 50 5 GFBARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006052653 570229697 /nfs/dbraw/zinc/22/96/97/570229697.db2.gz GOQJQNPVMOSMSA-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000048333038 570237161 /nfs/dbraw/zinc/23/71/61/570237161.db2.gz LEBAJEKRZINOLG-UHFFFAOYSA-N 0 0 383.813 2.973 50 5 GFBARN COc1ccc(S(=O)(=O)Oc2ccc(-c3noc(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000023402309 570322875 /nfs/dbraw/zinc/32/28/75/570322875.db2.gz LKMRQHJWALLNEQ-UHFFFAOYSA-N 0 0 391.361 2.730 50 5 GFBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000024947487 570372758 /nfs/dbraw/zinc/37/27/58/570372758.db2.gz YGFFJXHPAKFCEN-UHFFFAOYSA-N 0 0 382.825 2.924 50 5 GFBARN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000004978712 570386021 /nfs/dbraw/zinc/38/60/21/570386021.db2.gz MNIXTZFBJKTCAW-UHFFFAOYSA-N 0 0 382.420 2.906 50 5 GFBARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000004991291 570390993 /nfs/dbraw/zinc/39/09/93/570390993.db2.gz NELMJURKBWYMHB-GDLCADMTSA-N 0 0 391.811 2.748 50 5 GFBARN COc1cccc(C2=N/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)O2)c1 ZINC000006549234 570472501 /nfs/dbraw/zinc/47/25/01/570472501.db2.gz HLUBDIFUPHHGEO-ZSOIEALJSA-N 0 0 384.344 2.965 50 5 GFBARN COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O ZINC000005329664 570554759 /nfs/dbraw/zinc/55/47/59/570554759.db2.gz AWRBPLQDJORICC-UHFFFAOYSA-N 0 0 391.405 2.531 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl ZINC000005394997 570576518 /nfs/dbraw/zinc/57/65/18/570576518.db2.gz NOEYTXLBCUHEJR-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN COCCCn1ccc2nc3ccn(-c4ccccc4OC)c(=O)c3cc2c1=O ZINC000038828990 570584049 /nfs/dbraw/zinc/58/40/49/570584049.db2.gz IDQVDWNKCKRBNJ-UHFFFAOYSA-N 0 0 391.427 2.746 50 5 GFBARN O=C(NC[C@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005444878 570595292 /nfs/dbraw/zinc/59/52/92/570595292.db2.gz RITDKIGDDBYZOR-ZJYZBMPFSA-N 0 0 395.415 2.661 50 5 GFBARN O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1NC=C[C@]1(O)C(F)(F)F ZINC000006829137 570626670 /nfs/dbraw/zinc/62/66/70/570626670.db2.gz LRAJEPOEBVAHMV-HNNXBMFYSA-N 0 0 399.281 2.849 50 5 GFBARN CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006833312 570636577 /nfs/dbraw/zinc/63/65/77/570636577.db2.gz WVZQNBMCQLJCDT-KRWDZBQOSA-N 0 0 389.452 2.868 50 5 GFBARN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc2c(c1)CCC2 ZINC000032724202 570769060 /nfs/dbraw/zinc/76/90/60/570769060.db2.gz NTNZGHQLTLPKDL-UHFFFAOYSA-N 0 0 384.344 2.608 50 5 GFBARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000005848273 570796811 /nfs/dbraw/zinc/79/68/11/570796811.db2.gz FOVNFYTWXWVXDJ-UHFFFAOYSA-N 0 0 392.297 2.906 50 5 GFBARN COC(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000018109299 570800015 /nfs/dbraw/zinc/80/00/15/570800015.db2.gz ZFNFQBZTPMJFRA-LLVKDONJSA-N 0 0 386.360 2.644 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)NC(=O)c1c(F)cccc1N2 ZINC000034812043 570801324 /nfs/dbraw/zinc/80/13/24/570801324.db2.gz PKTQAZHAYTUCAU-UHFFFAOYSA-N 0 0 384.367 2.522 50 5 GFBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCCC1 ZINC000007229178 570817778 /nfs/dbraw/zinc/81/77/78/570817778.db2.gz OLVBISFLBTZMMM-JTQLQIEISA-N 0 0 389.330 2.580 50 5 GFBARN COC(=O)[C@@H](CC(C)C)Nc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] ZINC000004684538 570830183 /nfs/dbraw/zinc/83/01/83/570830183.db2.gz QMXZIPNCUSDZEI-CQSZACIVSA-N 0 0 377.397 2.638 50 5 GFBARN COc1ccc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000004531847 570846709 /nfs/dbraw/zinc/84/67/09/570846709.db2.gz ABJLFNNYQDZPGB-SNVBAGLBSA-N 0 0 385.635 2.983 50 5 GFBARN COc1ccc(-c2nnc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)o2)cc1 ZINC000032842612 570851083 /nfs/dbraw/zinc/85/10/83/570851083.db2.gz CMEONVZTLFFNDZ-UHFFFAOYSA-N 0 0 399.315 2.739 50 5 GFBARN O=C1N[C@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000104188697 570897081 /nfs/dbraw/zinc/89/70/81/570897081.db2.gz SKQZJOFCDHFTFU-CQSZACIVSA-N 0 0 384.442 2.722 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000032901074 570897696 /nfs/dbraw/zinc/89/76/96/570897696.db2.gz SDXBUQDPRROPAU-GFCCVEGCSA-N 0 0 387.392 2.873 50 5 GFBARN Cc1c(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000022465171 570897946 /nfs/dbraw/zinc/89/79/46/570897946.db2.gz LOQGMMDRQKGZSO-UHFFFAOYSA-N 0 0 382.420 2.543 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000046739106 570901654 /nfs/dbraw/zinc/90/16/54/570901654.db2.gz QTJLLHGSMZSDSC-CQSZACIVSA-N 0 0 389.452 2.714 50 5 GFBARN Cc1ccc(C2=N/C(=C/c3ccc(-n4cncn4)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000098004817 570911964 /nfs/dbraw/zinc/91/19/64/570911964.db2.gz NRURAVVMRMHPKR-LZYBPNLTSA-N 0 0 375.344 2.828 50 5 GFBARN Cc1cc(C)n(-c2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000032933219 570946014 /nfs/dbraw/zinc/94/60/14/570946014.db2.gz YCWRQAUFNWSIJH-UHFFFAOYSA-N 0 0 393.403 2.766 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000015628142 571032717 /nfs/dbraw/zinc/03/27/17/571032717.db2.gz SBNOPCFAONFRJY-UHFFFAOYSA-N 0 0 390.377 2.510 50 5 GFBARN C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000011437658 571046092 /nfs/dbraw/zinc/04/60/92/571046092.db2.gz BHXRWGMCHMVKSM-GFCCVEGCSA-N 0 0 379.372 2.559 50 5 GFBARN C[C@@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019169146 210229504 /nfs/dbraw/zinc/22/95/04/210229504.db2.gz HWDLCTYLUFEHHW-WFXMLNOXSA-N 0 0 392.415 2.521 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016742303 210194253 /nfs/dbraw/zinc/19/42/53/210194253.db2.gz DOSJOCCBWCRQPY-KRWDZBQOSA-N 0 0 392.408 2.563 50 5 GFBARN COc1cc(C)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1OC ZINC000014066102 210101553 /nfs/dbraw/zinc/10/15/53/210101553.db2.gz IHMFZRLKAIQCIR-UHFFFAOYSA-N 0 0 383.364 2.753 50 5 GFBARN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000014015856 210099383 /nfs/dbraw/zinc/09/93/83/210099383.db2.gz AXTHEOORDCTJPG-NSHDSACASA-N 0 0 394.405 2.708 50 5 GFBARN Cn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 ZINC000012970268 210036085 /nfs/dbraw/zinc/03/60/85/210036085.db2.gz VJBIJBSTIYUBMR-UHFFFAOYSA-N 0 0 388.811 2.873 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000012869101 210021516 /nfs/dbraw/zinc/02/15/16/210021516.db2.gz MUPUASNGHGJPOO-UHFFFAOYSA-N 0 0 399.432 2.664 50 5 GFBARN CSc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012818841 210015556 /nfs/dbraw/zinc/01/55/56/210015556.db2.gz HXKQFJHZKGQTOB-BETUJISGSA-N 0 0 381.498 2.934 50 5 GFBARN CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000012592495 209983408 /nfs/dbraw/zinc/98/34/08/209983408.db2.gz HPNIKIFSQDNUMG-HXUWFJFHSA-N 0 0 397.387 2.643 50 5 GFBARN N=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1nonc1N ZINC000008854901 209803054 /nfs/dbraw/zinc/80/30/54/209803054.db2.gz WXUOWCQOZUBJRJ-KWCXCCSBSA-N 0 0 398.360 2.876 50 5 GFBARN COc1ccc(OCCN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008512459 209783344 /nfs/dbraw/zinc/78/33/44/209783344.db2.gz ZKZZUXFDMJBUQM-UHFFFAOYSA-N 0 0 380.422 2.611 50 5 GFBARN CC(C)OCCCNC(=O)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000006788029 209685286 /nfs/dbraw/zinc/68/52/86/209685286.db2.gz MHCFCXGFHSTDHA-MRXNPFEDSA-N 0 0 399.875 2.934 50 5 GFBARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005892078 209620986 /nfs/dbraw/zinc/62/09/86/209620986.db2.gz FEUDCKTXWIBMCA-CQSZACIVSA-N 0 0 388.361 2.945 50 5 GFBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cccn(OCc2ccccc2)c1=O ZINC000005054871 209564227 /nfs/dbraw/zinc/56/42/27/209564227.db2.gz FTCJPMDXQGXRKK-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC ZINC000004902912 209542545 /nfs/dbraw/zinc/54/25/45/209542545.db2.gz NYBRHHWYFWURLV-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN Cn1c(/C=C/N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O ZINC000003173750 209415015 /nfs/dbraw/zinc/41/50/15/209415015.db2.gz BOFXWBOYTDFXGI-BUHFOSPRSA-N 0 0 392.415 2.670 50 5 GFBARN COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)cc1OC ZINC000002786313 209384954 /nfs/dbraw/zinc/38/49/54/209384954.db2.gz AJLDVJWQNOUXSP-UHFFFAOYSA-N 0 0 388.302 2.774 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O ZINC000002844251 209390025 /nfs/dbraw/zinc/39/00/25/209390025.db2.gz DDCVQTQURMGWJZ-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN CCn1nccc1CN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000002795505 209386330 /nfs/dbraw/zinc/38/63/30/209386330.db2.gz CGBMVCWZVOHBPB-UHFFFAOYSA-N 0 0 396.451 2.945 50 5 GFBARN COc1ccc(Cn2c(C)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 ZINC000002216077 209351292 /nfs/dbraw/zinc/35/12/92/209351292.db2.gz YQZFDTAIPASSLB-UHFFFAOYSA-N 0 0 378.384 2.877 50 5 GFBARN COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002070567 209345153 /nfs/dbraw/zinc/34/51/53/209345153.db2.gz LVGWVXGRFHYSHI-OQLLNIDSSA-N 0 0 399.384 2.961 50 5 GFBARN COC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001215478 209314378 /nfs/dbraw/zinc/31/43/78/209314378.db2.gz KKRACVNTLBYMJI-NYYWCZLTSA-N 0 0 385.401 2.908 50 5 GFBARN O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000001165432 209309390 /nfs/dbraw/zinc/30/93/90/209309390.db2.gz VEYODNZDGXEVSY-GFCCVEGCSA-N 0 0 375.406 2.817 50 5 GFBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC2(CC1)OCCO2 ZINC000032829563 211942996 /nfs/dbraw/zinc/94/29/96/211942996.db2.gz RYTJGDMVVKHNOV-UHFFFAOYSA-N 0 0 377.275 2.865 50 5 GFBARN COc1cc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000007633118 211591542 /nfs/dbraw/zinc/59/15/42/211591542.db2.gz MPYXHEMDPQPLCT-GFCCVEGCSA-N 0 0 380.397 2.560 50 5 GFBARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCc2ccc([N+](=O)[O-])cc2)no1 ZINC000006363218 211574217 /nfs/dbraw/zinc/57/42/17/211574217.db2.gz CHYLUJKDEVXEPC-LLVKDONJSA-N 0 0 379.394 2.695 50 5 GFBARN COC(=O)CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000005569952 211570407 /nfs/dbraw/zinc/57/04/07/211570407.db2.gz XTEUTBYWUXZSQY-UHFFFAOYSA-N 0 0 398.419 2.800 50 5 GFBARN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000095465711 211245595 /nfs/dbraw/zinc/24/55/95/211245595.db2.gz CJTQODZFPVWDOO-UHFFFAOYSA-N 0 0 396.274 2.838 50 5 GFBARN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000095452355 211243066 /nfs/dbraw/zinc/24/30/66/211243066.db2.gz ZYAIZXWXBIOFEK-UHFFFAOYSA-N 0 0 390.403 2.656 50 5 GFBARN CC(C)(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000089620953 211182317 /nfs/dbraw/zinc/18/23/17/211182317.db2.gz BNOQOWMWDBQXBY-UHFFFAOYSA-N 0 0 388.468 2.984 50 5 GFBARN COc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000040072043 210768445 /nfs/dbraw/zinc/76/84/45/210768445.db2.gz PLRCVYFDKGEDTD-KRWDZBQOSA-N 0 0 385.376 2.973 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)NC(=O)c1c(F)cccc1N2 ZINC000034812044 210667847 /nfs/dbraw/zinc/66/78/47/210667847.db2.gz VSNXRNKXEKGSPX-UHFFFAOYSA-N 0 0 384.367 2.522 50 5 GFBARN COc1ccc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1OC(C)=O ZINC000021091461 210376218 /nfs/dbraw/zinc/37/62/18/210376218.db2.gz STSSNKKKTOMCBE-LJQANCHMSA-N 0 0 399.359 2.768 50 5 GFBARN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000020010927 210311016 /nfs/dbraw/zinc/31/10/16/210311016.db2.gz FNDVGQNYHUOILV-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)CC(=O)Nc1ccccc1 ZINC000003260091 220617833 /nfs/dbraw/zinc/61/78/33/220617833.db2.gz KXPOSNPPIXGRMI-IBGZPJMESA-N 0 0 382.376 2.880 50 5 GFBARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000058160156 136154609 /nfs/dbraw/zinc/15/46/09/136154609.db2.gz YFCBAIFHPHTAIJ-OAHLLOKOSA-N 0 0 396.447 2.947 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438630 136194871 /nfs/dbraw/zinc/19/48/71/136194871.db2.gz KGJYPPHMPROPSS-UHFFFAOYSA-N 0 0 375.406 2.777 50 5 GFBARN Cc1csc2nc(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)n12 ZINC000011029006 551106181 /nfs/dbraw/zinc/10/61/81/551106181.db2.gz ZWXQRVHAFMHVMJ-UHFFFAOYSA-N 0 0 379.781 2.983 50 5 GFBARN CC(C)N1CC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595066 551635422 /nfs/dbraw/zinc/63/54/22/551635422.db2.gz JKBNMDJRCQHGKO-JTQLQIEISA-N 0 0 381.376 2.783 50 5 GFBARN O=C(NCCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1Br ZINC000170593837 551635899 /nfs/dbraw/zinc/63/58/99/551635899.db2.gz KPFSYILCQLMYFO-NSHDSACASA-N 0 0 387.230 2.530 50 5 GFBARN O=C(CNC(=O)Cc1cccc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000048356171 570242370 /nfs/dbraw/zinc/24/23/70/570242370.db2.gz LWUUWDCIHCIERS-UHFFFAOYSA-N 0 0 377.400 2.723 50 5 GFBARN CN(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915126 570292378 /nfs/dbraw/zinc/29/23/78/570292378.db2.gz ORRMOVUDGFRBKD-MRXNPFEDSA-N 0 0 396.447 2.908 50 5 GFBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247845207 570319765 /nfs/dbraw/zinc/31/97/65/570319765.db2.gz PLHQAKCOJSHTIE-JOQOYGCGSA-N 0 0 398.419 2.727 50 5 GFBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N[C@@H]1CCCc2ccccc21 ZINC000023380084 570322552 /nfs/dbraw/zinc/32/25/52/570322552.db2.gz PGEWPTSVFGKWCK-QGZVFWFLSA-N 0 0 384.436 2.605 50 5 GFBARN O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005021231 570398239 /nfs/dbraw/zinc/39/82/39/570398239.db2.gz KFVNUDDGTFOTAV-OAHLLOKOSA-N 0 0 392.751 2.570 50 5 GFBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)n1 ZINC000006444422 570423757 /nfs/dbraw/zinc/42/37/57/570423757.db2.gz JAHPIBOZBLLANL-UHFFFAOYSA-N 0 0 384.308 2.676 50 5 GFBARN Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1[N+](=O)[O-] ZINC000024135059 570432769 /nfs/dbraw/zinc/43/27/69/570432769.db2.gz VQECLHIRCQAMIS-UHFFFAOYSA-N 0 0 381.432 2.796 50 5 GFBARN CC[C@@H](SCC(=O)OC)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000011852415 570438952 /nfs/dbraw/zinc/43/89/52/570438952.db2.gz RQZXNBGUPYSATB-LLVKDONJSA-N 0 0 396.450 2.737 50 5 GFBARN Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)sc1C ZINC000024242972 570482853 /nfs/dbraw/zinc/48/28/53/570482853.db2.gz WKLNYOAUSMCGHD-UHFFFAOYSA-N 0 0 375.454 2.672 50 5 GFBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000005176784 570493629 /nfs/dbraw/zinc/49/36/29/570493629.db2.gz ZOZOWIWVOUKNSJ-GFCCVEGCSA-N 0 0 398.824 2.671 50 5 GFBARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000011082862 570509178 /nfs/dbraw/zinc/50/91/78/570509178.db2.gz BEURXHNXTOHYIQ-UHFFFAOYSA-N 0 0 380.404 2.877 50 5 GFBARN COc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000005430000 570592097 /nfs/dbraw/zinc/59/20/97/570592097.db2.gz GLQOJFDTTRFXFP-UHFFFAOYSA-N 0 0 391.307 2.553 50 5 GFBARN CCOC(=O)C[C@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccccc1Cl ZINC000004625616 570702800 /nfs/dbraw/zinc/70/28/00/570702800.db2.gz SWCIPWRQXQNENI-AWEZNQCLSA-N 0 0 394.815 2.564 50 5 GFBARN Cc1sc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000032709230 570753635 /nfs/dbraw/zinc/75/36/35/570753635.db2.gz XLNLAGWZKGSUHP-UHFFFAOYSA-N 0 0 389.433 2.618 50 5 GFBARN O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001133217 570756410 /nfs/dbraw/zinc/75/64/10/570756410.db2.gz VDMAVTYNBZMUHJ-UHFFFAOYSA-N 0 0 381.432 2.806 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1cccc(C(F)(F)F)c1 ZINC000007058512 570775457 /nfs/dbraw/zinc/77/54/57/570775457.db2.gz KQYDWPUQQYYROI-UHFFFAOYSA-N 0 0 394.261 2.815 50 5 GFBARN O=[N+]([O-])c1ccc(CCN2CCN(c3ncc(Br)cn3)CC2)cc1 ZINC000052715853 570791292 /nfs/dbraw/zinc/79/12/92/570791292.db2.gz BUEWNQFFKOQYFM-UHFFFAOYSA-N 0 0 392.257 2.512 50 5 GFBARN C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000025576147 570791910 /nfs/dbraw/zinc/79/19/10/570791910.db2.gz SZCYBOSVJJXBBX-OAHLLOKOSA-N 0 0 394.435 2.847 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000004688307 570828716 /nfs/dbraw/zinc/82/87/16/570828716.db2.gz FCRXBCALXBXYFL-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000004515942 570831615 /nfs/dbraw/zinc/83/16/15/570831615.db2.gz GZKUKGWZFCKGJR-QGHHPUGFSA-N 0 0 394.815 2.687 50 5 GFBARN O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)nc2ccccc12 ZINC000012533015 570834382 /nfs/dbraw/zinc/83/43/82/570834382.db2.gz MNRUAVQIALAGQB-UHFFFAOYSA-N 0 0 399.838 2.807 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004517989 570834483 /nfs/dbraw/zinc/83/44/83/570834483.db2.gz LOBYXYFKAAUJRL-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000007496706 570853023 /nfs/dbraw/zinc/85/30/23/570853023.db2.gz URPFKGYLEGWPQW-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000023038529 570892920 /nfs/dbraw/zinc/89/29/20/570892920.db2.gz UICLEFUFJYOVEF-UHFFFAOYSA-N 0 0 383.404 2.768 50 5 GFBARN CN1C2=C(C(=O)N(c3ccc(F)cc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004753679 570964704 /nfs/dbraw/zinc/96/47/04/570964704.db2.gz OKGWFSSANKZRRX-KRWDZBQOSA-N 0 0 382.351 2.731 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2ccccc2c1=O ZINC000025834163 570975130 /nfs/dbraw/zinc/97/51/30/570975130.db2.gz XJESYPNLPAEFPY-CQSZACIVSA-N 0 0 380.404 2.914 50 5 GFBARN CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C ZINC000170646216 570983230 /nfs/dbraw/zinc/98/32/30/570983230.db2.gz IUJNQMFUPPEYIB-XLIONFOSSA-N 0 0 391.468 2.707 50 5 GFBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccnc1 ZINC000006045289 570987450 /nfs/dbraw/zinc/98/74/50/570987450.db2.gz LOOCOILYDCCWCF-UHFFFAOYSA-N 0 0 381.211 2.879 50 5 GFBARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000011466213 571047673 /nfs/dbraw/zinc/04/76/73/571047673.db2.gz GNLIZUYPWHFDJI-GFCCVEGCSA-N 0 0 385.376 2.666 50 5 GFBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000012783936 230881603 /nfs/dbraw/zinc/88/16/03/230881603.db2.gz ZQAQUGKNQPDSFB-TXEJJXNPSA-N 0 0 376.438 2.913 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000017078825 210202508 /nfs/dbraw/zinc/20/25/08/210202508.db2.gz JUYQKLQDGOGGOX-UHFFFAOYSA-N 0 0 386.433 2.843 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016742304 210194982 /nfs/dbraw/zinc/19/49/82/210194982.db2.gz FDLOVKWUGNYBJK-MRXNPFEDSA-N 0 0 392.408 2.563 50 5 GFBARN Cc1cc(C)c(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000016667807 210192605 /nfs/dbraw/zinc/19/26/05/210192605.db2.gz PRTGHWVSTDNPFZ-UHFFFAOYSA-N 0 0 380.382 2.734 50 5 GFBARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1[N+](=O)[O-] ZINC000015408997 210156759 /nfs/dbraw/zinc/15/67/59/210156759.db2.gz USVFPXVBIDZMMW-ZDUSSCGKSA-N 0 0 397.387 2.666 50 5 GFBARN CCCn1nc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O ZINC000015139005 210154202 /nfs/dbraw/zinc/15/42/02/210154202.db2.gz ORYQUFBZLNCXSZ-UHFFFAOYSA-N 0 0 395.419 2.557 50 5 GFBARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000014272593 210114569 /nfs/dbraw/zinc/11/45/69/210114569.db2.gz KEPYBWPSFIAPKE-UHFFFAOYSA-N 0 0 382.825 2.924 50 5 GFBARN O=C([C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000012557538 209974363 /nfs/dbraw/zinc/97/43/63/209974363.db2.gz PQAYFLUYOWHOPK-GFCCVEGCSA-N 0 0 387.358 2.689 50 5 GFBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)Cc1ccccc1 ZINC000004687451 209512197 /nfs/dbraw/zinc/51/21/97/209512197.db2.gz AGNMOSXKDSKQJO-OAHLLOKOSA-N 0 0 375.450 2.635 50 5 GFBARN O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003317067 209422410 /nfs/dbraw/zinc/42/24/10/209422410.db2.gz BXFBGBGRNBDRGZ-UHFFFAOYSA-N 0 0 376.735 2.680 50 5 GFBARN COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3OC)OC2=O)cc1OC ZINC000002941834 209399701 /nfs/dbraw/zinc/39/97/01/209399701.db2.gz YOSIOYZBUNSXPR-RIYZIHGNSA-N 0 0 384.344 2.965 50 5 GFBARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002755635 209382247 /nfs/dbraw/zinc/38/22/47/209382247.db2.gz YDOVPHYUWUUGRE-HNNXBMFYSA-N 0 0 379.438 2.861 50 5 GFBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(I)cc1 ZINC000002764358 209382370 /nfs/dbraw/zinc/38/23/70/209382370.db2.gz TXERWSYVFFKGHI-UHFFFAOYSA-N 0 0 386.149 2.668 50 5 GFBARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1C ZINC000002625609 209373234 /nfs/dbraw/zinc/37/32/34/209373234.db2.gz WGYMAMFGKWJQRT-CYBMUJFWSA-N 0 0 398.419 2.813 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000002053749 209344741 /nfs/dbraw/zinc/34/47/41/209344741.db2.gz PNAIHBMYFYXCMR-UHFFFAOYSA-N 0 0 394.340 2.778 50 5 GFBARN CCOc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001151360 209306794 /nfs/dbraw/zinc/30/67/94/209306794.db2.gz DHCCNJMVVCDDFS-NSHDSACASA-N 0 0 383.360 2.617 50 5 GFBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc2c(c1)OCO2 ZINC000001079801 209298468 /nfs/dbraw/zinc/29/84/68/209298468.db2.gz YONUBLOXHZXSBS-UHFFFAOYSA-N 0 0 386.389 2.608 50 5 GFBARN O=C(Nc1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)N1CCOCC1 ZINC000001048602 209293550 /nfs/dbraw/zinc/29/35/50/209293550.db2.gz PHOXKRCOJXBLMU-UHFFFAOYSA-N 0 0 394.391 2.707 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000009579528 209284455 /nfs/dbraw/zinc/28/44/55/209284455.db2.gz BASUMPBAJPFACH-INIZCTEOSA-N 0 0 397.347 2.770 50 5 GFBARN CS(=O)(=O)c1ccc(SCC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000000957046 209283864 /nfs/dbraw/zinc/28/38/64/209283864.db2.gz ZELKHCUPSNVBBW-UHFFFAOYSA-N 0 0 381.431 2.834 50 5 GFBARN COc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000009375853 209276970 /nfs/dbraw/zinc/27/69/70/209276970.db2.gz SWTHDKBWOCNYHQ-UHFFFAOYSA-N 0 0 396.403 2.724 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccncc1 ZINC000000705330 209260246 /nfs/dbraw/zinc/26/02/46/209260246.db2.gz SYRJGRXSVZQSTL-OAHLLOKOSA-N 0 0 380.282 2.599 50 5 GFBARN CC(C)OC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000000672842 209257695 /nfs/dbraw/zinc/25/76/95/209257695.db2.gz BZTZFWJWIIDQFL-UHFFFAOYSA-N 0 0 392.437 2.936 50 5 GFBARN C[C@@H](c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn21)N1CCOCC1 ZINC000241644615 211973633 /nfs/dbraw/zinc/97/36/33/211973633.db2.gz PSFFEFQJQYXKHX-HNNXBMFYSA-N 0 0 387.443 2.698 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275876 211327690 /nfs/dbraw/zinc/32/76/90/211327690.db2.gz GTRPXGDXBFUDLT-JTQLQIEISA-N 0 0 382.332 2.865 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(N[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000095444768 211240624 /nfs/dbraw/zinc/24/06/24/211240624.db2.gz OUYTVOCABMGNMY-HOCLYGCPSA-N 0 0 383.470 2.651 50 5 GFBARN CCCc1sc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1CC ZINC000089960422 211187352 /nfs/dbraw/zinc/18/73/52/211187352.db2.gz LOCXJTGBUBZXIY-CRAIPNDOSA-N 0 0 392.477 2.996 50 5 GFBARN O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@@H](O)c1ccccc1F ZINC000032810144 210591096 /nfs/dbraw/zinc/59/10/96/210591096.db2.gz DVGVZZRMFNJMAL-GOSISDBHSA-N 0 0 398.394 2.778 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000024759572 210469656 /nfs/dbraw/zinc/46/96/56/210469656.db2.gz WULIPRMZHAOONT-RMKNXTFCSA-N 0 0 379.372 2.896 50 5 GFBARN Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000020893202 210367047 /nfs/dbraw/zinc/36/70/47/210367047.db2.gz AQYJDFAGGXJSLU-UHFFFAOYSA-N 0 0 395.419 2.566 50 5 GFBARN Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])cc4C(N)=O)C3)nc2c1 ZINC000096006337 136183280 /nfs/dbraw/zinc/18/32/80/136183280.db2.gz PJTOYPXXELJGPJ-GFCCVEGCSA-N 0 0 380.408 2.657 50 5 GFBARN Cc1nn(CC(=O)OCCOc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000003302892 551092698 /nfs/dbraw/zinc/09/26/98/551092698.db2.gz VJUSIZVBFCRSTJ-UHFFFAOYSA-N 0 0 398.213 2.793 50 5 GFBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000006509404 551099105 /nfs/dbraw/zinc/09/91/05/551099105.db2.gz ZJUQAWUKYWBQNI-UHFFFAOYSA-N 0 0 381.435 2.693 50 5 GFBARN O=C(Nc1ccc(N2CCNC2=O)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000048310098 570232754 /nfs/dbraw/zinc/23/27/54/570232754.db2.gz DZCIOPXOWQKXGI-UHFFFAOYSA-N 0 0 392.375 2.562 50 5 GFBARN Cc1c(NC(=O)[C@H](C)Oc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000010797696 570298557 /nfs/dbraw/zinc/29/85/57/570298557.db2.gz AMEDUCRSPAMODA-AWEZNQCLSA-N 0 0 396.403 2.799 50 5 GFBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000004840454 570312605 /nfs/dbraw/zinc/31/26/05/570312605.db2.gz TXHNEGYGXHXQMT-UHFFFAOYSA-N 0 0 375.425 2.754 50 5 GFBARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000012946962 570317453 /nfs/dbraw/zinc/31/74/53/570317453.db2.gz KMBLJMBTWHYFJR-UHFFFAOYSA-N 0 0 391.449 2.779 50 5 GFBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(CCO)CCO)cc1Cl ZINC000004881504 570354448 /nfs/dbraw/zinc/35/44/48/570354448.db2.gz YXDKJKGKXCBIKL-UHFFFAOYSA-N 0 0 393.827 2.600 50 5 GFBARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000004994020 570391346 /nfs/dbraw/zinc/39/13/46/570391346.db2.gz GHQFINRYWCYLNV-UHFFFAOYSA-N 0 0 398.419 2.524 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000005008671 570393415 /nfs/dbraw/zinc/39/34/15/570393415.db2.gz ZWLGPSHMODGGRF-GOSISDBHSA-N 0 0 397.387 2.845 50 5 GFBARN CCc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000006351057 570397674 /nfs/dbraw/zinc/39/76/74/570397674.db2.gz LTVPQSRKMMHICW-UHFFFAOYSA-N 0 0 391.449 2.922 50 5 GFBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000025029761 570403398 /nfs/dbraw/zinc/40/33/98/570403398.db2.gz PMHFUEYBPXCBQI-UHFFFAOYSA-N 0 0 375.812 2.976 50 5 GFBARN CNc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000024208190 570475066 /nfs/dbraw/zinc/47/50/66/570475066.db2.gz QSXGSBIEYCMAAS-IBGZPJMESA-N 0 0 398.463 2.748 50 5 GFBARN O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccccc2)CC1 ZINC000006918938 570499002 /nfs/dbraw/zinc/49/90/02/570499002.db2.gz LSGPQFHQDJOLMI-UHFFFAOYSA-N 0 0 384.439 2.810 50 5 GFBARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000136133077 570508799 /nfs/dbraw/zinc/50/87/99/570508799.db2.gz GTFRELCRDZVNGO-HRCADAONSA-N 0 0 387.779 2.725 50 5 GFBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000079065684 570510501 /nfs/dbraw/zinc/51/05/01/570510501.db2.gz DZNIDHJVBVEBOW-UHFFFAOYSA-N 0 0 393.377 2.776 50 5 GFBARN Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004331249 570575104 /nfs/dbraw/zinc/57/51/04/570575104.db2.gz QURULXVRCUSDFR-UHFFFAOYSA-N 0 0 399.842 2.859 50 5 GFBARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1C ZINC000004515816 570631699 /nfs/dbraw/zinc/63/16/99/570631699.db2.gz GUUVVYVZEMNPSX-CYBMUJFWSA-N 0 0 398.419 2.813 50 5 GFBARN CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032592153 570679111 /nfs/dbraw/zinc/67/91/11/570679111.db2.gz ZRMFYPYRLIDOEH-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000025324828 570747283 /nfs/dbraw/zinc/74/72/83/570747283.db2.gz IPUSZZYBYSFFAQ-UHFFFAOYSA-N 0 0 398.419 2.814 50 5 GFBARN Cc1nc2ncnn2c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007068587 570779466 /nfs/dbraw/zinc/77/94/66/570779466.db2.gz AAMXLAGELQBUAD-ZDUSSCGKSA-N 0 0 382.424 2.802 50 5 GFBARN Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])no1 ZINC000031653572 570819176 /nfs/dbraw/zinc/81/91/76/570819176.db2.gz GQTRIWBDYYBUOG-UHFFFAOYSA-N 0 0 394.453 2.702 50 5 GFBARN Cn1c(=O)[nH]c(=O)c2c1N=C1c3ccccc3C(=O)C1[C@H]2c1ccc([N+](=O)[O-])o1 ZINC000102643189 570856795 /nfs/dbraw/zinc/85/67/95/570856795.db2.gz YGJBCKADVHZXSH-GFCCVEGCSA-N 0 0 392.327 2.536 50 5 GFBARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000004555465 570864021 /nfs/dbraw/zinc/86/40/21/570864021.db2.gz FGCLAAFWMJZMDG-OAHLLOKOSA-N 0 0 382.372 2.682 50 5 GFBARN Cc1nn(C)c(C)c1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000010057165 570891402 /nfs/dbraw/zinc/89/14/02/570891402.db2.gz NXJYXRRWYHIPEF-UHFFFAOYSA-N 0 0 399.373 2.735 50 5 GFBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F ZINC000004570452 570892535 /nfs/dbraw/zinc/89/25/35/570892535.db2.gz MJKAFSFHGYTSTF-LBPRGKRZSA-N 0 0 388.355 2.993 50 5 GFBARN NC(=O)c1ccc(COC(=O)/C=C/c2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000016812340 570911244 /nfs/dbraw/zinc/91/12/44/570911244.db2.gz LZYLBPUTMOHPIX-MDZDMXLPSA-N 0 0 377.356 2.999 50 5 GFBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N(C)c3ccccc3)ccc12 ZINC000004708651 570986666 /nfs/dbraw/zinc/98/66/66/570986666.db2.gz DJOFIVWOVSHADL-UHFFFAOYSA-N 0 0 379.441 2.981 50 5 GFBARN Cc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000007718537 571020725 /nfs/dbraw/zinc/02/07/25/571020725.db2.gz OLZBTYICVLVKMC-IAGOWNOFSA-N 0 0 387.417 2.515 50 5 GFBARN O=C(NCCSCc1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000017119551 210204852 /nfs/dbraw/zinc/20/48/52/210204852.db2.gz XUGOTUUPKTWLIT-UHFFFAOYSA-N 0 0 390.465 2.953 50 5 GFBARN CCC(=O)NCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000013813892 210092118 /nfs/dbraw/zinc/09/21/18/210092118.db2.gz YNZPSKPFHMYUNU-UHFFFAOYSA-N 0 0 395.419 2.803 50 5 GFBARN CC(=O)N1c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C[C@H]1C ZINC000012968061 210036326 /nfs/dbraw/zinc/03/63/26/210036326.db2.gz HFUYGJJJUGGKPZ-LLVKDONJSA-N 0 0 376.390 2.660 50 5 GFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)N1CCc2ccccc21 ZINC000010050931 209851461 /nfs/dbraw/zinc/85/14/61/209851461.db2.gz KEEFDWQNRNTSIQ-CYBMUJFWSA-N 0 0 383.404 2.795 50 5 GFBARN Cc1noc(/C=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000009295471 209822315 /nfs/dbraw/zinc/82/23/15/209822315.db2.gz XSKTVLDZNXICAN-YXMGTMDOSA-N 0 0 387.392 2.736 50 5 GFBARN O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000004985699 209554619 /nfs/dbraw/zinc/55/46/19/209554619.db2.gz SUMNRVDMBZPKJJ-AWEZNQCLSA-N 0 0 397.206 2.832 50 5 GFBARN COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000004687745 209512372 /nfs/dbraw/zinc/51/23/72/209512372.db2.gz YKFFZIIJRGBMSQ-NTEUORMPSA-N 0 0 387.373 2.595 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ncccc12 ZINC000004406371 209485368 /nfs/dbraw/zinc/48/53/68/209485368.db2.gz NVOPFPCMVCHXKJ-UHFFFAOYSA-N 0 0 398.444 2.654 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000003878786 209456445 /nfs/dbraw/zinc/45/64/45/209456445.db2.gz BCBPTHPDIOOZIR-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000003636509 209450658 /nfs/dbraw/zinc/45/06/58/209450658.db2.gz FTHVLVGTQCRHIO-YGRLFVJLSA-N 0 0 375.406 2.807 50 5 GFBARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002853746 209392150 /nfs/dbraw/zinc/39/21/50/209392150.db2.gz GVEDFEMFXPMIGV-ZDUSSCGKSA-N 0 0 377.422 2.517 50 5 GFBARN Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(Cl)c1Cl ZINC000002805032 209387576 /nfs/dbraw/zinc/38/75/76/209387576.db2.gz GPYRWRZQGIGOOB-UHFFFAOYSA-N 0 0 389.243 2.508 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nncn1-c1ccccc1 ZINC000002665183 209376456 /nfs/dbraw/zinc/37/64/56/209376456.db2.gz VJHNFPJEXGYTKI-UHFFFAOYSA-N 0 0 385.405 2.915 50 5 GFBARN C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001458136 209329949 /nfs/dbraw/zinc/32/99/49/209329949.db2.gz CSQSOQBBFNJRCC-GOEBONIOSA-N 0 0 395.481 2.539 50 5 GFBARN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl ZINC000001122004 209303852 /nfs/dbraw/zinc/30/38/52/209303852.db2.gz LOBLEECJKVUURF-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000001111847 209301684 /nfs/dbraw/zinc/30/16/84/209301684.db2.gz YWQMNRUWWANENM-NSHDSACASA-N 0 0 397.362 2.698 50 5 GFBARN COc1ccc2[nH]c(C)c(CCNC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2c1 ZINC000001083570 209298598 /nfs/dbraw/zinc/29/85/98/209298598.db2.gz SYKOZMDOUFJZJD-UHFFFAOYSA-N 0 0 385.424 2.565 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000862516 209273028 /nfs/dbraw/zinc/27/30/28/209273028.db2.gz KVDZDVSPKABROQ-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN COc1ccc(-c2c3c(c4cnc5ccccc5n42)n(C)c(=O)n(C)c3=O)cc1 ZINC000000804802 209267839 /nfs/dbraw/zinc/26/78/39/209267839.db2.gz RZWJHAFEMZYUJR-UHFFFAOYSA-N 0 0 386.411 2.714 50 5 GFBARN CC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000777976 209263542 /nfs/dbraw/zinc/26/35/42/209263542.db2.gz DFSNYFIXFWVLLH-VIFPVBQESA-N 0 0 385.660 2.714 50 5 GFBARN CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000712514 209262222 /nfs/dbraw/zinc/26/22/22/209262222.db2.gz VIMPJTMAUGDIKT-MRXNPFEDSA-N 0 0 396.399 2.936 50 5 GFBARN CC(C)(C)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000245234496 209215058 /nfs/dbraw/zinc/21/50/58/209215058.db2.gz BGEBNCFBGNHABL-BWVIJFMTSA-N 0 0 383.408 2.569 50 5 GFBARN COc1cc(CCNC(=O)CCC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000008881400 211598985 /nfs/dbraw/zinc/59/89/85/211598985.db2.gz MBNHJIQGARAQKX-UHFFFAOYSA-N 0 0 386.404 2.934 50 5 GFBARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 ZINC000005753872 211569691 /nfs/dbraw/zinc/56/96/91/211569691.db2.gz FAJDDOKDNHQZFH-UHFFFAOYSA-N 0 0 384.421 2.606 50 5 GFBARN Cc1nn(C)c(NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000072289229 211085718 /nfs/dbraw/zinc/08/57/18/211085718.db2.gz OGOVYHJEFHIJTQ-NEPJUHHUSA-N 0 0 383.449 2.809 50 5 GFBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCC1=CCCCC1 ZINC000032724200 210581752 /nfs/dbraw/zinc/58/17/52/210581752.db2.gz VFOKPTNPSWXQPB-LBPRGKRZSA-N 0 0 390.392 2.876 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023559337 210450120 /nfs/dbraw/zinc/45/01/20/210450120.db2.gz XVDPUBCFOMQMOW-UHFFFAOYSA-N 0 0 380.326 2.971 50 5 GFBARN COC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000001181017 220482094 /nfs/dbraw/zinc/48/20/94/220482094.db2.gz DXMVFAZJSNTQAU-MDZDMXLPSA-N 0 0 385.401 2.908 50 5 GFBARN Cc1csc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000058357278 136155219 /nfs/dbraw/zinc/15/52/19/136155219.db2.gz YGRGTYXZEJUQNT-UHFFFAOYSA-N 0 0 390.465 2.559 50 5 GFBARN CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 ZINC000096403143 136187113 /nfs/dbraw/zinc/18/71/13/136187113.db2.gz VTARPNVNEVQHIW-UHFFFAOYSA-N 0 0 397.431 2.891 50 5 GFBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)N1CCCc2ccccc21 ZINC000005400916 136194695 /nfs/dbraw/zinc/19/46/95/136194695.db2.gz MLAIAFATKCHVOU-UHFFFAOYSA-N 0 0 390.399 2.798 50 5 GFBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000008053507 136195596 /nfs/dbraw/zinc/19/55/96/136195596.db2.gz NEBMQNCOJVVWFD-UHFFFAOYSA-N 0 0 387.870 2.821 50 5 GFBARN O=C1NC(=S)NC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000005173657 551096827 /nfs/dbraw/zinc/09/68/27/551096827.db2.gz YCOSVZCNNIRXKJ-IZZDOVSWSA-N 0 0 394.206 2.963 50 5 GFBARN COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000048356490 570242705 /nfs/dbraw/zinc/24/27/05/570242705.db2.gz WRVFZWSENGOGMK-UHFFFAOYSA-N 0 0 384.388 2.951 50 5 GFBARN C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006183672 570316463 /nfs/dbraw/zinc/31/64/63/570316463.db2.gz NJILHMXJBQFYKZ-YOEHRIQHSA-N 0 0 395.481 2.539 50 5 GFBARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007982162 570354446 /nfs/dbraw/zinc/35/44/46/570354446.db2.gz TVXYYAVZYYYNBD-ZHACJKMWSA-N 0 0 390.417 2.537 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C)cc1 ZINC000004917729 570362762 /nfs/dbraw/zinc/36/27/62/570362762.db2.gz HRSGZMAFMKMEGM-AWEZNQCLSA-N 0 0 393.440 2.942 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000005064940 570408958 /nfs/dbraw/zinc/40/89/58/570408958.db2.gz DTQBSOQGHXJVIF-QGZVFWFLSA-N 0 0 382.445 2.704 50 5 GFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000005436793 570592644 /nfs/dbraw/zinc/59/26/44/570592644.db2.gz ILILKNZOSURMHR-JTQLQIEISA-N 0 0 392.799 2.893 50 5 GFBARN COc1ccc(Cn2nccc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000012391138 570643913 /nfs/dbraw/zinc/64/39/13/570643913.db2.gz PXPAUEYDHWIEIG-UHFFFAOYSA-N 0 0 382.376 2.866 50 5 GFBARN O=[N+]([O-])c1ccccc1-c1nnc2c3ccccc3nc(N3CCOCC3)n21 ZINC000034692553 570692572 /nfs/dbraw/zinc/69/25/72/570692572.db2.gz SCSOIZLSPKDGKB-UHFFFAOYSA-N 0 0 376.376 2.689 50 5 GFBARN Cc1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000018934892 570711928 /nfs/dbraw/zinc/71/19/28/570711928.db2.gz WTMWBEREJAZOLJ-UHFFFAOYSA-N 0 0 398.463 2.538 50 5 GFBARN CCC[C@]1(C)C(=O)NCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189806565 570773581 /nfs/dbraw/zinc/77/35/81/570773581.db2.gz YJVNKNMAZNSJHV-GOSISDBHSA-N 0 0 388.449 2.849 50 5 GFBARN CC(C)N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000238881513 570810064 /nfs/dbraw/zinc/81/00/64/570810064.db2.gz AKXLHONTKXYEAI-FGTMMUONSA-N 0 0 381.388 2.850 50 5 GFBARN CCOc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497282 570813261 /nfs/dbraw/zinc/81/32/61/570813261.db2.gz LIRNDHAFGRTVHK-QUVLDCBQSA-N 0 0 395.415 2.928 50 5 GFBARN CN(C)c1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cn1 ZINC000012517290 570826107 /nfs/dbraw/zinc/82/61/07/570826107.db2.gz CORUUIXDOOHHFU-UHFFFAOYSA-N 0 0 391.453 2.584 50 5 GFBARN O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000004688318 570828566 /nfs/dbraw/zinc/82/85/66/570828566.db2.gz VEAGSAJNLWCIOL-UHFFFAOYSA-N 0 0 394.435 2.899 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccnc1Cl ZINC000003288413 570852133 /nfs/dbraw/zinc/85/21/33/570852133.db2.gz LQUACKKLEDTOBJ-SECBINFHSA-N 0 0 379.756 2.836 50 5 GFBARN Cc1c(NC(=O)c2cccs2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000004717692 570857105 /nfs/dbraw/zinc/85/71/05/570857105.db2.gz XPVKCQNBTLBKRW-UHFFFAOYSA-N 0 0 381.435 2.658 50 5 GFBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000012641500 570933959 /nfs/dbraw/zinc/93/39/59/570933959.db2.gz SETLZIHSSSVFGS-UHFFFAOYSA-N 0 0 381.396 2.669 50 5 GFBARN CN1C2=C(C(=O)N(c3ccc(F)cc3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004753680 570964733 /nfs/dbraw/zinc/96/47/33/570964733.db2.gz OKGWFSSANKZRRX-QGZVFWFLSA-N 0 0 382.351 2.731 50 5 GFBARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000007612608 571001416 /nfs/dbraw/zinc/00/14/16/571001416.db2.gz KAZLWGVQXRQDAD-UHFFFAOYSA-N 0 0 375.406 2.831 50 5 GFBARN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)cc1 ZINC000037521894 571023621 /nfs/dbraw/zinc/02/36/21/571023621.db2.gz VLEFWMXNEWHDGD-AWEZNQCLSA-N 0 0 383.404 2.871 50 5 GFBARN CN(C)c1cc(F)c(-c2nc(CC(=O)NCc3ccccc3)no2)cc1[N+](=O)[O-] ZINC000408518429 529773235 /nfs/dbraw/zinc/77/32/35/529773235.db2.gz HEASOMVYZJIHCR-UHFFFAOYSA-N 0 0 399.382 2.709 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000015913356 210179150 /nfs/dbraw/zinc/17/91/50/210179150.db2.gz IMORSXGMFHIWIB-INIZCTEOSA-N 0 0 397.347 2.770 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000015562036 210158778 /nfs/dbraw/zinc/15/87/78/210158778.db2.gz XTCLSEVVSYBJTJ-NSHDSACASA-N 0 0 391.811 2.864 50 5 GFBARN COc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000014331337 210116365 /nfs/dbraw/zinc/11/63/65/210116365.db2.gz VZYUBFSPMAGDAU-UHFFFAOYSA-N 0 0 391.449 2.869 50 5 GFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000014412262 210116821 /nfs/dbraw/zinc/11/68/21/210116821.db2.gz JYWPXLAYSRLWKA-BJMVGYQFSA-N 0 0 384.344 2.820 50 5 GFBARN COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000012856499 210019465 /nfs/dbraw/zinc/01/94/65/210019465.db2.gz NFNCNZUEWJUNRL-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000012808927 210013732 /nfs/dbraw/zinc/01/37/32/210013732.db2.gz VSTQNBZXAJWXRP-UHFFFAOYSA-N 0 0 385.376 2.530 50 5 GFBARN COCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005125610 209572621 /nfs/dbraw/zinc/57/26/21/209572621.db2.gz IOILHTKCVJVTAN-NBVRZTHBSA-N 0 0 383.404 2.518 50 5 GFBARN CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 ZINC000004740930 209520080 /nfs/dbraw/zinc/52/00/80/209520080.db2.gz AQAVSIABZAPDTG-MRXNPFEDSA-N 0 0 390.484 2.880 50 5 GFBARN Cc1nn(CC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c(C)c1[N+](=O)[O-] ZINC000003428094 209434959 /nfs/dbraw/zinc/43/49/59/209434959.db2.gz ZSPWASXOWGPLBU-UHFFFAOYSA-N 0 0 385.376 2.875 50 5 GFBARN Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1[N+](=O)[O-] ZINC000002609910 209370717 /nfs/dbraw/zinc/37/07/17/209370717.db2.gz JPWKJZFJPROOGO-UHFFFAOYSA-N 0 0 389.433 2.960 50 5 GFBARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002252873 209352336 /nfs/dbraw/zinc/35/23/36/209352336.db2.gz YFCJTXWVBNJXQP-JSGCOSHPSA-N 0 0 375.406 2.807 50 5 GFBARN COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000001396283 209325481 /nfs/dbraw/zinc/32/54/81/209325481.db2.gz WUROYMSYHDXXLC-UHFFFAOYSA-N 0 0 384.797 2.531 50 5 GFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Br)cc1 ZINC000001436609 209328529 /nfs/dbraw/zinc/32/85/29/209328529.db2.gz MXDSDGNEJIPXTK-UHFFFAOYSA-N 0 0 389.161 2.836 50 5 GFBARN Cc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001147630 209306515 /nfs/dbraw/zinc/30/65/15/209306515.db2.gz DBGIUABUIACYSO-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000001136996 209304571 /nfs/dbraw/zinc/30/45/71/209304571.db2.gz AGNQDAJMBFITQU-UHFFFAOYSA-N 0 0 383.813 2.653 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001021954 209288795 /nfs/dbraw/zinc/28/87/95/209288795.db2.gz LWMTYQBPIIVGGV-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@]1(O)c1cccnc1 ZINC000000827423 209270554 /nfs/dbraw/zinc/27/05/54/209270554.db2.gz NHKJREQESKCBEP-HNNXBMFYSA-N 0 0 380.282 2.599 50 5 GFBARN Cc1ccc(OCCN(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000009114605 209248448 /nfs/dbraw/zinc/24/84/48/209248448.db2.gz OOTNPSICYQRKHD-UHFFFAOYSA-N 0 0 381.392 2.635 50 5 GFBARN COc1cc(CCNC(=O)c2coc(Br)c2)c([N+](=O)[O-])cc1OC ZINC000032779924 211943041 /nfs/dbraw/zinc/94/30/41/211943041.db2.gz LTKHLUYCVLIMFU-UHFFFAOYSA-N 0 0 399.197 2.940 50 5 GFBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000097674699 211371034 /nfs/dbraw/zinc/37/10/34/211371034.db2.gz ZWABPNATDQGKDC-YVMONPNESA-N 0 0 379.294 2.780 50 5 GFBARN CC(C)(C)OC(=O)NC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCCCC1 ZINC000095979905 211290737 /nfs/dbraw/zinc/29/07/37/211290737.db2.gz GXUGGRPDQOORHW-UHFFFAOYSA-N 0 0 381.433 2.665 50 5 GFBARN Cc1nn(C)c(NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000072289226 211085387 /nfs/dbraw/zinc/08/53/87/211085387.db2.gz OGOVYHJEFHIJTQ-NWDGAFQWSA-N 0 0 383.449 2.809 50 5 GFBARN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000072274782 211083343 /nfs/dbraw/zinc/08/33/43/211083343.db2.gz NWNHWLYKWNFXNZ-HZPDHXFCSA-N 0 0 399.216 2.681 50 5 GFBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3Cl)nn12 ZINC000048513165 210855736 /nfs/dbraw/zinc/85/57/36/210855736.db2.gz DWZCZMMOCYWWAQ-NTEUORMPSA-N 0 0 384.804 2.927 50 5 GFBARN CN(C)CCSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 ZINC000040158682 210782032 /nfs/dbraw/zinc/78/20/32/210782032.db2.gz QWRHXYPBAOKLPO-UHFFFAOYSA-N 0 0 377.473 2.958 50 5 GFBARN Cc1nc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)sc1C ZINC000024645610 210466663 /nfs/dbraw/zinc/46/66/63/210466663.db2.gz QCWAMWBTYZGMIO-UHFFFAOYSA-N 0 0 385.405 2.775 50 5 GFBARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@](C)(c3cccc([N+](=O)[O-])c3)O2)cc1 ZINC000021091297 210376611 /nfs/dbraw/zinc/37/66/11/210376611.db2.gz MHNFNCNAFXTSEW-LJQANCHMSA-N 0 0 383.360 2.933 50 5 GFBARN CCOC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000020849878 210362596 /nfs/dbraw/zinc/36/25/96/210362596.db2.gz RTIXGHGOXDXGPI-ZDUSSCGKSA-N 0 0 375.410 2.760 50 5 GFBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3nnnn3-c3ccccc3)o2)cc1 ZINC000020530618 210344091 /nfs/dbraw/zinc/34/40/91/210344091.db2.gz TULMUWUDQGAABZ-UHFFFAOYSA-N 0 0 381.377 2.913 50 5 GFBARN O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000020513312 210343735 /nfs/dbraw/zinc/34/37/35/210343735.db2.gz FGHHRJXGWSNTFY-UHFFFAOYSA-N 0 0 396.447 2.658 50 5 GFBARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020413297 210331722 /nfs/dbraw/zinc/33/17/22/210331722.db2.gz FBKVSDUAHUXDQH-UHFFFAOYSA-N 0 0 380.326 2.971 50 5 GFBARN Cc1ccc(-n2nnc3c2ncn(Cc2cccc([N+](=O)[O-])c2)c3=O)cc1Cl ZINC000005057381 220821121 /nfs/dbraw/zinc/82/11/21/220821121.db2.gz CWVPYDWMOKAOIB-UHFFFAOYSA-N 0 0 396.794 2.896 50 5 GFBARN O=C(COC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000045038319 132421424 /nfs/dbraw/zinc/42/14/24/132421424.db2.gz GHFQGNCKQQHINI-UHFFFAOYSA-N 0 0 384.436 2.751 50 5 GFBARN O=C(Nc1ccc2c(c1)OCCCO2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000058393814 136155398 /nfs/dbraw/zinc/15/53/98/136155398.db2.gz OGKFUUSRSJKMSZ-UHFFFAOYSA-N 0 0 399.407 2.505 50 5 GFBARN COc1nccnc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095948558 136182605 /nfs/dbraw/zinc/18/26/05/136182605.db2.gz QQRYZUQGZRILCR-UHFFFAOYSA-N 0 0 383.330 2.739 50 5 GFBARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004941954 136194298 /nfs/dbraw/zinc/19/42/98/136194298.db2.gz WYSUPBFHNBXKRB-UHFFFAOYSA-N 0 0 375.406 2.777 50 5 GFBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000009463415 551103480 /nfs/dbraw/zinc/10/34/80/551103480.db2.gz SNOJDJASXQVONK-UHFFFAOYSA-N 0 0 383.432 2.922 50 5 GFBARN O=C(CNC(=O)c1cccc(Br)c1)OCc1ccccc1[N+](=O)[O-] ZINC000025114506 551120019 /nfs/dbraw/zinc/12/00/19/551120019.db2.gz GNMYMNKZWVOULR-UHFFFAOYSA-N 0 0 393.193 2.831 50 5 GFBARN COC(=O)c1cc(C(=O)OCC(=O)NC2CCCCCCC2)cc([N+](=O)[O-])c1 ZINC000006084125 570239189 /nfs/dbraw/zinc/23/91/89/570239189.db2.gz AURRMBQYVOKYDF-UHFFFAOYSA-N 0 0 392.408 2.767 50 5 GFBARN COc1cccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)c1 ZINC000006250201 570348224 /nfs/dbraw/zinc/34/82/24/570348224.db2.gz ZUUVVMKTYNLCQT-GOSISDBHSA-N 0 0 393.465 2.722 50 5 GFBARN C[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593288 570399138 /nfs/dbraw/zinc/39/91/38/570399138.db2.gz TUHWLSCTTFSKOE-HOCLYGCPSA-N 0 0 396.513 2.522 50 5 GFBARN CNC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000006371490 570402491 /nfs/dbraw/zinc/40/24/91/570402491.db2.gz GRISHGRMADJAQM-UHFFFAOYSA-N 0 0 394.767 2.952 50 5 GFBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000006400928 570404850 /nfs/dbraw/zinc/40/48/50/570404850.db2.gz LGSITCWEBGHRMU-UHFFFAOYSA-N 0 0 377.422 2.668 50 5 GFBARN CC[C@@]1(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000054199094 570452441 /nfs/dbraw/zinc/45/24/41/570452441.db2.gz QYPRCCGFWTXIRK-FQEVSTJZSA-N 0 0 381.388 2.932 50 5 GFBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000035870295 570468321 /nfs/dbraw/zinc/46/83/21/570468321.db2.gz LOBXIYNHRZDIEH-UYAOXDASSA-N 0 0 398.438 2.738 50 5 GFBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCCn1ccnc1 ZINC000005207015 570506486 /nfs/dbraw/zinc/50/64/86/570506486.db2.gz HNKPIPOPLIVVRI-UHFFFAOYSA-N 0 0 377.400 2.728 50 5 GFBARN CC(C)[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000006669657 570527562 /nfs/dbraw/zinc/52/75/62/570527562.db2.gz VJFPYLLYBVDDBC-GOSISDBHSA-N 0 0 382.372 2.864 50 5 GFBARN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(S(=O)(=O)N(C)C)c1C ZINC000025010767 570663863 /nfs/dbraw/zinc/66/38/63/570663863.db2.gz MOLSPOKCWRFXFJ-UHFFFAOYSA-N 0 0 377.422 2.714 50 5 GFBARN O=[N+]([O-])c1ccccc1CN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025047079 570702059 /nfs/dbraw/zinc/70/20/59/570702059.db2.gz NMOAFKCHAPLJEO-UHFFFAOYSA-N 0 0 375.450 2.538 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1 ZINC000004663513 570811623 /nfs/dbraw/zinc/81/16/23/570811623.db2.gz NIMQBTSYKLRPMR-UHFFFAOYSA-N 0 0 395.868 2.900 50 5 GFBARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000005985974 570811727 /nfs/dbraw/zinc/81/17/27/570811727.db2.gz RQWJXQBUXBWICA-UHFFFAOYSA-N 0 0 398.441 2.793 50 5 GFBARN Cn1cnnc1Sc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1[N+](=O)[O-] ZINC000005993700 570812675 /nfs/dbraw/zinc/81/26/75/570812675.db2.gz OSPIZTIWFQXRAZ-ZDUSSCGKSA-N 0 0 376.394 2.543 50 5 GFBARN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000004513734 570827541 /nfs/dbraw/zinc/82/75/41/570827541.db2.gz ZXAXFKPAVCMKIC-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000102440378 570849211 /nfs/dbraw/zinc/84/92/11/570849211.db2.gz JIBXTJFVYZVKNE-TXEJJXNPSA-N 0 0 379.800 2.752 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004543471 570853967 /nfs/dbraw/zinc/85/39/67/570853967.db2.gz NFDMPGCYBMLOGL-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000032854216 570855008 /nfs/dbraw/zinc/85/50/08/570855008.db2.gz HDCSTFHHLRKXEM-HNNXBMFYSA-N 0 0 389.795 2.536 50 5 GFBARN O=c1c2ccccc2cnn1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000012561310 570865823 /nfs/dbraw/zinc/86/58/23/570865823.db2.gz WCKIOQDONAZCJV-UHFFFAOYSA-N 0 0 399.838 2.738 50 5 GFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cc1 ZINC000012561750 570866180 /nfs/dbraw/zinc/86/61/80/570866180.db2.gz ZHOGEGJRKPNADW-UHFFFAOYSA-N 0 0 382.420 2.954 50 5 GFBARN CC(=O)Oc1ccc([C@@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000004753601 570965463 /nfs/dbraw/zinc/96/54/63/570965463.db2.gz IKWOCCNFHNGBJY-LJQANCHMSA-N 0 0 383.360 2.933 50 5 GFBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1[C@@]1(O)c2cc(Cl)ccc2NC1=O ZINC000007737609 571027906 /nfs/dbraw/zinc/02/79/06/571027906.db2.gz GIVHHVTUSIDXJU-SFHVURJKSA-N 0 0 399.794 2.513 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000014095303 210104065 /nfs/dbraw/zinc/10/40/65/210104065.db2.gz HOMZSJFCOACCSD-ZDUSSCGKSA-N 0 0 382.376 2.631 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)c1C ZINC000012942532 210033400 /nfs/dbraw/zinc/03/34/00/210033400.db2.gz HKOWHWHUPOKXLC-OAHLLOKOSA-N 0 0 392.433 2.672 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012763663 210005673 /nfs/dbraw/zinc/00/56/73/210005673.db2.gz LBNXDRCXXMREDQ-OAHLLOKOSA-N 0 0 383.404 2.851 50 5 GFBARN COc1ccc(-c2noc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1OC ZINC000007759204 209743115 /nfs/dbraw/zinc/74/31/15/209743115.db2.gz MOENMNMRMNRSQD-UHFFFAOYSA-N 0 0 398.375 2.900 50 5 GFBARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000006469554 209650406 /nfs/dbraw/zinc/65/04/06/209650406.db2.gz NCKDCOGAPUPEMU-UHFFFAOYSA-N 0 0 377.328 2.677 50 5 GFBARN CC1CCN(S(=O)(=O)c2cc3c(=O)nc4ccccn4c3cc2Cl)CC1 ZINC000004708603 209515659 /nfs/dbraw/zinc/51/56/59/209515659.db2.gz YDAIBZAKBCIYGC-UHFFFAOYSA-N 0 0 391.880 2.922 50 5 GFBARN Cc1nn(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C)c1Cl ZINC000001070973 209296718 /nfs/dbraw/zinc/29/67/18/209296718.db2.gz NFTSVJHKTVQJQH-UHFFFAOYSA-N 0 0 376.598 2.669 50 5 GFBARN COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)cccc1F ZINC000001023892 209290156 /nfs/dbraw/zinc/29/01/56/209290156.db2.gz YDINEYRDZOEUDQ-UHFFFAOYSA-N 0 0 381.291 2.852 50 5 GFBARN O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccco1 ZINC000006495511 209232975 /nfs/dbraw/zinc/23/29/75/209232975.db2.gz YXJZSCQAYIIASU-GXDHUFHOSA-N 0 0 387.373 2.654 50 5 GFBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N ZINC000334157525 212042846 /nfs/dbraw/zinc/04/28/46/212042846.db2.gz GNWWSIXGVBYUDK-UHFFFAOYSA-N 0 0 381.348 2.672 50 5 GFBARN C[C@H](c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn21)N1CCOCC1 ZINC000241644616 211974015 /nfs/dbraw/zinc/97/40/15/211974015.db2.gz PSFFEFQJQYXKHX-OAHLLOKOSA-N 0 0 387.443 2.698 50 5 GFBARN Cc1cc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000032912017 211944635 /nfs/dbraw/zinc/94/46/35/211944635.db2.gz LFROUXNHUWTYTD-UHFFFAOYSA-N 0 0 396.447 2.509 50 5 GFBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NS(C)(=O)=O ZINC000029968426 211923756 /nfs/dbraw/zinc/92/37/56/211923756.db2.gz LWYHGGJSBSZIGX-UHFFFAOYSA-N 0 0 379.394 2.536 50 5 GFBARN C[C@@H](OC(=O)c1cnc2ccccc2n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024866393 211797753 /nfs/dbraw/zinc/79/77/53/211797753.db2.gz IIACOFLQNVGZCO-SNVBAGLBSA-N 0 0 384.323 2.861 50 5 GFBARN O=C(NC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)c1ccccc1 ZINC000022003987 211749284 /nfs/dbraw/zinc/74/92/84/211749284.db2.gz LWLKZGMPWNDTHM-UHFFFAOYSA-N 0 0 379.420 2.796 50 5 GFBARN Cc1nc([C@@H](C)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000097229126 211362551 /nfs/dbraw/zinc/36/25/51/211362551.db2.gz KNBRDVXJOBOBSD-ZCFIWIBFSA-N 0 0 380.304 2.753 50 5 GFBARN C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000095445215 211240697 /nfs/dbraw/zinc/24/06/97/211240697.db2.gz GOBQTERLIORSNT-UONOGXRCSA-N 0 0 392.456 2.626 50 5 GFBARN COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1CCNC(=O)OC(C)(C)C ZINC000091696089 211204300 /nfs/dbraw/zinc/20/43/00/211204300.db2.gz GLHGEZHQBIPGHR-UHFFFAOYSA-N 0 0 390.396 2.634 50 5 GFBARN Cn1c(=O)c([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000019809231 210297646 /nfs/dbraw/zinc/29/76/46/210297646.db2.gz DSJUMZQGIHRGOY-UHFFFAOYSA-N 0 0 396.422 2.908 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1-n1nnc2ccccc21 ZINC000005828792 220900503 /nfs/dbraw/zinc/90/05/03/220900503.db2.gz FASFSZOYSWTASZ-UHFFFAOYSA-N 0 0 387.421 2.503 50 5 GFBARN C[C@H](OC(=O)c1ccc(NC2CC2)nc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000039564083 221892431 /nfs/dbraw/zinc/89/24/31/221892431.db2.gz FGFOJYZOHFTVIX-JTQLQIEISA-N 0 0 388.355 2.887 50 5 GFBARN COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@@H](COC)C3)n2)C1 ZINC000221941632 536764171 /nfs/dbraw/zinc/76/41/71/536764171.db2.gz PQOLFEDGBNQOJT-HZPDHXFCSA-N 0 0 378.473 2.715 50 5 GFBARN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1nc(Cl)c(Cl)cc1Cl ZINC000170609633 551635820 /nfs/dbraw/zinc/63/58/20/551635820.db2.gz PJLLHRBKVXUEIN-UHFFFAOYSA-N 0 0 379.591 2.968 50 5 GFBARN Cc1sc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000024671219 570278605 /nfs/dbraw/zinc/27/86/05/570278605.db2.gz YPHLUJXNCHSGHE-CQSZACIVSA-N 0 0 391.474 2.796 50 5 GFBARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000024762209 570290628 /nfs/dbraw/zinc/29/06/28/570290628.db2.gz UAZGDYSKCMTYBB-UHFFFAOYSA-N 0 0 393.396 2.735 50 5 GFBARN O=C(NC(=S)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004855489 570348101 /nfs/dbraw/zinc/34/81/01/570348101.db2.gz RKDQFQDDTIULGN-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN Cc1cc(C)cc(-n2nnc3c2ncn(Cc2cccc([N+](=O)[O-])c2)c3=O)c1 ZINC000005057303 570407583 /nfs/dbraw/zinc/40/75/83/570407583.db2.gz LBFKQBVNWBKGEE-UHFFFAOYSA-N 0 0 376.376 2.551 50 5 GFBARN CC(=O)c1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1 ZINC000005324014 570553412 /nfs/dbraw/zinc/55/34/12/570553412.db2.gz QNUDNQCCSSIRRG-FQEVSTJZSA-N 0 0 393.355 2.624 50 5 GFBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681341 570601487 /nfs/dbraw/zinc/60/14/87/570601487.db2.gz LOBXIYNHRZDIEH-ICSRJNTNSA-N 0 0 398.438 2.738 50 5 GFBARN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1 ZINC000004219554 570623960 /nfs/dbraw/zinc/62/39/60/570623960.db2.gz XMNISGYBFDQMSX-UHFFFAOYSA-N 0 0 388.445 2.979 50 5 GFBARN CC[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004619181 570666758 /nfs/dbraw/zinc/66/67/58/570666758.db2.gz FLZRGJIHBWOLQC-MRXNPFEDSA-N 0 0 385.376 2.921 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000025055467 570706845 /nfs/dbraw/zinc/70/68/45/570706845.db2.gz HDENJWZBSPLZKI-UHFFFAOYSA-N 0 0 375.768 2.851 50 5 GFBARN CCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005938312 570806958 /nfs/dbraw/zinc/80/69/58/570806958.db2.gz GJHDBCDJUOJMOR-FQEVSTJZSA-N 0 0 381.388 2.807 50 5 GFBARN O=C1CCC(=O)N1c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004684449 570830187 /nfs/dbraw/zinc/83/01/87/570830187.db2.gz YJRHDKQLJSYFQV-UHFFFAOYSA-N 0 0 398.394 2.714 50 5 GFBARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000004688549 570834486 /nfs/dbraw/zinc/83/44/86/570834486.db2.gz AMQXTRAYRNEDPR-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN CCNc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000239722302 570836475 /nfs/dbraw/zinc/83/64/75/570836475.db2.gz CCARUKSCKPYHRS-MJEQTWJJSA-N 0 0 375.425 2.973 50 5 GFBARN CC[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C)s1 ZINC000004523593 570841719 /nfs/dbraw/zinc/84/17/19/570841719.db2.gz IFRUEEYHPUMHFS-YSKGHYERSA-N 0 0 376.394 2.728 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccnc21 ZINC000004543483 570854218 /nfs/dbraw/zinc/85/42/18/570854218.db2.gz QUHAXWQJNJXOCH-UHFFFAOYSA-N 0 0 398.444 2.654 50 5 GFBARN Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000012563076 570867390 /nfs/dbraw/zinc/86/73/90/570867390.db2.gz CNXVZNNCXBFTKC-UHFFFAOYSA-N 0 0 391.449 2.536 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000032894227 570891445 /nfs/dbraw/zinc/89/14/45/570891445.db2.gz LDVWICJRLCJROH-IBGZPJMESA-N 0 0 379.416 2.784 50 5 GFBARN Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000023106204 570904928 /nfs/dbraw/zinc/90/49/28/570904928.db2.gz JSONZXUGSRLVRA-IBGZPJMESA-N 0 0 387.411 2.846 50 5 GFBARN Cc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000032912027 570915093 /nfs/dbraw/zinc/91/50/93/570915093.db2.gz SPADSRYMPUBXFI-UHFFFAOYSA-N 0 0 396.447 2.509 50 5 GFBARN Cc1cc(NC(=O)CN2C[C@@H](C)O[C@@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000017014078 570924297 /nfs/dbraw/zinc/92/42/97/570924297.db2.gz AKFBLLOQOTUERN-OKILXGFUSA-N 0 0 381.432 2.697 50 5 GFBARN COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC ZINC000005440494 570947106 /nfs/dbraw/zinc/94/71/06/570947106.db2.gz QZZKXKSAMXBAOK-UHFFFAOYSA-N 0 0 385.376 2.991 50 5 GFBARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000012740294 570984669 /nfs/dbraw/zinc/98/46/69/570984669.db2.gz GYEPSBNUFABTIC-UHFFFAOYSA-N 0 0 384.392 2.875 50 5 GFBARN Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(Cc2cccc(C)c2)n1 ZINC000001431349 571003242 /nfs/dbraw/zinc/00/32/42/571003242.db2.gz BJBQKGFKYQDAKO-UHFFFAOYSA-N 0 0 382.424 2.908 50 5 GFBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccon3)cc2[N+](=O)[O-])C1 ZINC000011410507 571018403 /nfs/dbraw/zinc/01/84/03/571018403.db2.gz RWNFVIZHXSXMAZ-LBPRGKRZSA-N 0 0 388.380 2.615 50 5 GFBARN Cn1ncc2c1ncnc2SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008748508 654486801 /nfs/dbraw/zinc/48/68/01/654486801.db2.gz LNQUEZBEFSZLGM-UHFFFAOYSA-N 0 0 378.801 2.656 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c([N+](=O)[O-])cc1C ZINC000009738707 230872730 /nfs/dbraw/zinc/87/27/30/230872730.db2.gz HZGOTMMOFSSDBR-UHFFFAOYSA-N 0 0 388.424 2.795 50 5 GFBARN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019169148 210229379 /nfs/dbraw/zinc/22/93/79/210229379.db2.gz HWDLCTYLUFEHHW-BBTUJRGHSA-N 0 0 392.415 2.521 50 5 GFBARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018244174 210218412 /nfs/dbraw/zinc/21/84/12/210218412.db2.gz WTKQCEICXMDJAY-RYUDHWBXSA-N 0 0 377.784 2.528 50 5 GFBARN Cc1cccc(OCCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000016278679 210187689 /nfs/dbraw/zinc/18/76/89/210187689.db2.gz YLKHSWUXEXHUEM-UHFFFAOYSA-N 0 0 381.392 2.683 50 5 GFBARN CNc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000006122621 209631435 /nfs/dbraw/zinc/63/14/35/209631435.db2.gz ZGBOXIBGBHSSTI-UHFFFAOYSA-N 0 0 383.401 2.605 50 5 GFBARN Cc1cc(C)n2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc2n1 ZINC000003467444 209439891 /nfs/dbraw/zinc/43/98/91/209439891.db2.gz ZNHRPDFTFXJNOF-UHFFFAOYSA-N 0 0 376.373 2.519 50 5 GFBARN CCn1ccc(-c2nnc(SCn3nc(C)c([N+](=O)[O-])c3C)n2CC)n1 ZINC000002786157 209384687 /nfs/dbraw/zinc/38/46/87/209384687.db2.gz GKAQUTMSQNSPKT-UHFFFAOYSA-N 0 0 376.446 2.653 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002850406 209391276 /nfs/dbraw/zinc/39/12/76/209391276.db2.gz QDDMNGSLTRBBFH-UHFFFAOYSA-N 0 0 375.812 2.976 50 5 GFBARN O=C(CSc1nnc(-c2ccccc2)o1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002618524 209371330 /nfs/dbraw/zinc/37/13/30/209371330.db2.gz OBWFXXPDGJCCSX-UHFFFAOYSA-N 0 0 384.373 2.694 50 5 GFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000002237337 209351737 /nfs/dbraw/zinc/35/17/37/209351737.db2.gz RQRVLEPCIUMBRQ-UHFFFAOYSA-N 0 0 391.859 2.882 50 5 GFBARN COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000002070134 209345160 /nfs/dbraw/zinc/34/51/60/209345160.db2.gz JOKIMXYHKPEIDD-LHHJGKSTSA-N 0 0 399.315 2.865 50 5 GFBARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002068384 209345210 /nfs/dbraw/zinc/34/52/10/209345210.db2.gz SKMLMUAKHZYITK-UHFFFAOYSA-N 0 0 386.360 2.748 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccc(Cl)cc3)n12 ZINC000001873465 209341129 /nfs/dbraw/zinc/34/11/29/209341129.db2.gz XIEFNNKBCFRPQG-ZROIWOOFSA-N 0 0 384.804 2.927 50 5 GFBARN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000001793939 209340002 /nfs/dbraw/zinc/34/00/02/209340002.db2.gz IBOYHLNFUAYTOT-UHFFFAOYSA-N 0 0 390.377 2.795 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000010218981 209323068 /nfs/dbraw/zinc/32/30/68/209323068.db2.gz OEAQNRJCWODKAL-UHFFFAOYSA-N 0 0 396.396 2.935 50 5 GFBARN O=c1[nH]nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc2c(c1)OCCO2 ZINC000001324208 209319434 /nfs/dbraw/zinc/31/94/34/209319434.db2.gz REBZFRWGHWAYBS-UHFFFAOYSA-N 0 0 386.389 2.532 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000001136459 209305725 /nfs/dbraw/zinc/30/57/25/209305725.db2.gz ORZZKRDJZAHAGR-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000001118085 209303020 /nfs/dbraw/zinc/30/30/20/209303020.db2.gz YLYWSFZHNKVRLP-UHFFFAOYSA-N 0 0 390.348 2.660 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000000897191 209278286 /nfs/dbraw/zinc/27/82/86/209278286.db2.gz YZGIPPQHOKIKLH-UHFFFAOYSA-N 0 0 384.421 2.825 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000009373334 209270268 /nfs/dbraw/zinc/27/02/68/209270268.db2.gz WNEMJZGPPWVMFB-INIZCTEOSA-N 0 0 397.347 2.770 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(NCCCOCC2CC2)c([N+](=O)[O-])c1 ZINC000018063111 211720168 /nfs/dbraw/zinc/72/01/68/211720168.db2.gz HMCBEDTUCNACOF-UHFFFAOYSA-N 0 0 385.486 2.900 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2ccc(F)cc2)c1=O ZINC000004325913 211540610 /nfs/dbraw/zinc/54/06/10/211540610.db2.gz CCYIGQFXHQXPQI-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN Cc1nn(CC(=O)NCc2cc(F)ccc2Br)c(C)c1[N+](=O)[O-] ZINC000048355213 211456807 /nfs/dbraw/zinc/45/68/07/211456807.db2.gz HQKVMTJECRXVPE-UHFFFAOYSA-N 0 0 385.193 2.626 50 5 GFBARN CNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101361309 211398232 /nfs/dbraw/zinc/39/82/32/211398232.db2.gz SLFGBJHMAQQWKG-UHFFFAOYSA-N 0 0 375.362 2.544 50 5 GFBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(Cl)cc2)c1=N ZINC000101277376 211397013 /nfs/dbraw/zinc/39/70/13/211397013.db2.gz QEPRBVAYBKVTBX-UHFFFAOYSA-N 0 0 394.818 2.617 50 5 GFBARN CCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100627743 211389294 /nfs/dbraw/zinc/38/92/94/211389294.db2.gz XBBBRIKSBSHYDI-AWEZNQCLSA-N 0 0 387.443 2.640 50 5 GFBARN COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(C)cc2)c1=N ZINC000100631399 211388714 /nfs/dbraw/zinc/38/87/14/211388714.db2.gz UBLNRNQHGXNYRJ-UHFFFAOYSA-N 0 0 388.427 2.580 50 5 GFBARN Cc1nn(C)c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000057141608 210894760 /nfs/dbraw/zinc/89/47/60/210894760.db2.gz IMRGNSPQUBMSBW-UHFFFAOYSA-N 0 0 377.832 2.643 50 5 GFBARN CC(=O)N(C[C@H]1OC(c2ccc([N+](=O)[O-])cc2)=NN1C(C)=O)c1ccccc1 ZINC000021091911 210376585 /nfs/dbraw/zinc/37/65/85/210376585.db2.gz UPIDLZKYSFRLBV-GOSISDBHSA-N 0 0 382.376 2.514 50 5 GFBARN CCOC(=O)C1C(C)=Nc2nc(SC)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020849819 210363317 /nfs/dbraw/zinc/36/33/17/210363317.db2.gz YOGHDYCFAKTTSF-CYBMUJFWSA-N 0 0 375.410 2.760 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020744621 210359580 /nfs/dbraw/zinc/35/95/80/210359580.db2.gz ROCBAYIVVQYQPX-HNNXBMFYSA-N 0 0 392.375 2.684 50 5 GFBARN O=C(N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019800039 210298329 /nfs/dbraw/zinc/29/83/29/210298329.db2.gz VANHQYGKEDTASY-WCQYABFASA-N 0 0 396.658 2.790 50 5 GFBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN=C3c3ccccc3)c(=O)oc21 ZINC000019618851 210276032 /nfs/dbraw/zinc/27/60/32/210276032.db2.gz OOHNVEGKWVEJGY-UHFFFAOYSA-N 0 0 393.355 2.612 50 5 GFBARN Cc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)n(Cc2ccc(F)cc2)n1 ZINC000001430660 220497080 /nfs/dbraw/zinc/49/70/80/220497080.db2.gz SBIZBRSUCPTPLM-UHFFFAOYSA-N 0 0 386.387 2.903 50 5 GFBARN O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000225851150 553060837 /nfs/dbraw/zinc/06/08/37/553060837.db2.gz LQRSVOKVPKOFAH-UHFFFAOYSA-N 0 0 398.160 2.916 50 5 GFBARN Cc1c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cccc1[N+](=O)[O-] ZINC000048262658 570224860 /nfs/dbraw/zinc/22/48/60/570224860.db2.gz YCVYDRSBEJPRHF-UHFFFAOYSA-N 0 0 384.484 2.539 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000006053157 570229722 /nfs/dbraw/zinc/22/97/22/570229722.db2.gz IXAMQJJYXORUKY-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024647189 570276580 /nfs/dbraw/zinc/27/65/80/570276580.db2.gz FBIIFAROPRIPSD-QUCCMNQESA-N 0 0 380.448 2.880 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000012917956 570293491 /nfs/dbraw/zinc/29/34/91/570293491.db2.gz VWFCTCFTMMOMTF-UHFFFAOYSA-N 0 0 386.433 2.610 50 5 GFBARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024887802 570327530 /nfs/dbraw/zinc/32/75/30/570327530.db2.gz JBTRGGYHHXDNSX-UHFFFAOYSA-N 0 0 375.348 2.818 50 5 GFBARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000004884690 570354814 /nfs/dbraw/zinc/35/48/14/570354814.db2.gz PSVHILAGJZMEFY-UHFFFAOYSA-N 0 0 387.417 2.695 50 5 GFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005020758 570398320 /nfs/dbraw/zinc/39/83/20/570398320.db2.gz CKWWLDDLMUEWPK-SECBINFHSA-N 0 0 378.362 2.612 50 5 GFBARN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000104188694 570417224 /nfs/dbraw/zinc/41/72/24/570417224.db2.gz SKQZJOFCDHFTFU-AWEZNQCLSA-N 0 0 384.442 2.722 50 5 GFBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1F ZINC000006551974 570474727 /nfs/dbraw/zinc/47/47/27/570474727.db2.gz PIWOYNQWWFREIC-UHFFFAOYSA-N 0 0 395.412 2.807 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3cccs3)nn12 ZINC000027021960 570495261 /nfs/dbraw/zinc/49/52/61/570495261.db2.gz LXZGALCTQMAPTE-FKEISFMISA-N 0 0 382.426 2.839 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1COc2ccccc2O1 ZINC000005216547 570513150 /nfs/dbraw/zinc/51/31/50/570513150.db2.gz ZLBFQXSWNDEAHF-LBPRGKRZSA-N 0 0 378.768 2.583 50 5 GFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033317711 570524540 /nfs/dbraw/zinc/52/45/40/570524540.db2.gz NIYUNTJZZISBOG-ALCCZGGFSA-N 0 0 395.415 2.681 50 5 GFBARN COc1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000004599194 570621405 /nfs/dbraw/zinc/62/14/05/570621405.db2.gz LJKDDOSYKJVHNO-UHFFFAOYSA-N 0 0 385.420 2.503 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000006830824 570634194 /nfs/dbraw/zinc/63/41/94/570634194.db2.gz QYVWECXJQHQMGJ-CZUORRHYSA-N 0 0 393.440 2.505 50 5 GFBARN CC(=O)N(C)[C@H](c1nnnn1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005480870 570663144 /nfs/dbraw/zinc/66/31/44/570663144.db2.gz WIMDLTXFWMWCSH-INIZCTEOSA-N 0 0 386.799 2.792 50 5 GFBARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000100873145 570778500 /nfs/dbraw/zinc/77/85/00/570778500.db2.gz TUOFMKFDZRLTHM-MSUUIHNZSA-N 0 0 377.378 2.600 50 5 GFBARN COc1ccc(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000052741617 570793611 /nfs/dbraw/zinc/79/36/11/570793611.db2.gz QEDZLDDPAIMZLD-UHFFFAOYSA-N 0 0 375.450 2.665 50 5 GFBARN O=C(CCn1cnc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032795957 570815868 /nfs/dbraw/zinc/81/58/68/570815868.db2.gz KYYSPSGIQUPYCU-HXUWFJFHSA-N 0 0 390.403 2.964 50 5 GFBARN COC(=O)c1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012512632 570824617 /nfs/dbraw/zinc/82/46/17/570824617.db2.gz FQQQVPBCUXEQTL-UHFFFAOYSA-N 0 0 397.431 2.914 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000005702412 570828070 /nfs/dbraw/zinc/82/80/70/570828070.db2.gz IUDIQWHZOVKMCR-SNVBAGLBSA-N 0 0 390.323 2.705 50 5 GFBARN COc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000033193839 570842811 /nfs/dbraw/zinc/84/28/11/570842811.db2.gz OIFQLPGRWSDBEJ-UHFFFAOYSA-N 0 0 377.740 2.840 50 5 GFBARN Cn1c2nc3ccccc3n2c2c(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000004708087 570855025 /nfs/dbraw/zinc/85/50/25/570855025.db2.gz SVIIKHDANCCTIM-CYBMUJFWSA-N 0 0 389.371 2.569 50 5 GFBARN CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 ZINC000004740929 570954608 /nfs/dbraw/zinc/95/46/08/570954608.db2.gz AQAVSIABZAPDTG-INIZCTEOSA-N 0 0 390.484 2.880 50 5 GFBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)C1 ZINC000252444437 570957564 /nfs/dbraw/zinc/95/75/64/570957564.db2.gz BOSADZCWSQSUPB-RBSFLKMASA-N 0 0 397.497 2.852 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000016742305 210195337 /nfs/dbraw/zinc/19/53/37/210195337.db2.gz FDLOVKWUGNYBJK-INIZCTEOSA-N 0 0 392.408 2.563 50 5 GFBARN COc1cc(OC)cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 ZINC000016471361 210191796 /nfs/dbraw/zinc/19/17/96/210191796.db2.gz AGIPWEASYLXQLZ-GOSISDBHSA-N 0 0 396.403 2.865 50 5 GFBARN COc1cc(C=C2NC(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000015011774 210142832 /nfs/dbraw/zinc/14/28/32/210142832.db2.gz BJVWXEZSAYEBJK-MDWZMJQESA-N 0 0 385.401 2.939 50 5 GFBARN CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000012973598 210037753 /nfs/dbraw/zinc/03/77/53/210037753.db2.gz KMLRPXNGELNISQ-UHFFFAOYSA-N 0 0 381.362 2.548 50 5 GFBARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012939260 210034908 /nfs/dbraw/zinc/03/49/08/210034908.db2.gz OVIDWCMJWJBHSS-UHFFFAOYSA-N 0 0 395.824 2.941 50 5 GFBARN Cc1cc(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000012770959 210005544 /nfs/dbraw/zinc/00/55/44/210005544.db2.gz PBQHZERMDVLGDK-UHFFFAOYSA-N 0 0 399.451 2.544 50 5 GFBARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])c1 ZINC000012562115 209975972 /nfs/dbraw/zinc/97/59/72/209975972.db2.gz MXIZLLGWNLGVCS-GFCCVEGCSA-N 0 0 398.419 2.952 50 5 GFBARN Cc1c(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000004937528 209549148 /nfs/dbraw/zinc/54/91/48/209549148.db2.gz CVLMIQAFSPFFDI-UHFFFAOYSA-N 0 0 385.380 2.756 50 5 GFBARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000004555466 209496625 /nfs/dbraw/zinc/49/66/25/209496625.db2.gz FGCLAAFWMJZMDG-HNNXBMFYSA-N 0 0 382.372 2.682 50 5 GFBARN CC(=O)N(C(C)=O)n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000004132674 209466913 /nfs/dbraw/zinc/46/69/13/209466913.db2.gz BVQWXRRGQXEHBS-ZHACJKMWSA-N 0 0 392.371 2.506 50 5 GFBARN Cc1nn(Cc2ccc(C(=O)Nn3c(C)cc(C)cc3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000002793591 209385365 /nfs/dbraw/zinc/38/53/65/209385365.db2.gz SUFUSZPKPOACKV-UHFFFAOYSA-N 0 0 395.419 2.619 50 5 GFBARN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(C)=O ZINC000002916943 209397543 /nfs/dbraw/zinc/39/75/43/209397543.db2.gz ADZGIPNOBCMRDN-UHFFFAOYSA-N 0 0 377.378 2.962 50 5 GFBARN Cc1ccc2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)sc2c1 ZINC000002885259 209396168 /nfs/dbraw/zinc/39/61/68/209396168.db2.gz NPMVJJMYSLDHBR-UHFFFAOYSA-N 0 0 396.384 2.748 50 5 GFBARN CCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000002828661 209389853 /nfs/dbraw/zinc/38/98/53/209389853.db2.gz IZWVYUOVGYRZIL-UHFFFAOYSA-N 0 0 391.449 2.854 50 5 GFBARN Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC000002741477 209381687 /nfs/dbraw/zinc/38/16/87/209381687.db2.gz UGSZMBVGVVUBOO-UHFFFAOYSA-N 0 0 391.405 2.881 50 5 GFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(F)cc1 ZINC000002431417 209363944 /nfs/dbraw/zinc/36/39/44/209363944.db2.gz AEKYHRZEKIQJNF-UHFFFAOYSA-N 0 0 379.391 2.701 50 5 GFBARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002064377 209344753 /nfs/dbraw/zinc/34/47/53/209344753.db2.gz JGILCZYVPBAJID-UHFFFAOYSA-N 0 0 389.389 2.517 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000001149915 209306562 /nfs/dbraw/zinc/30/65/62/209306562.db2.gz NGTMOSHLPNZKQO-UHFFFAOYSA-N 0 0 391.449 2.853 50 5 GFBARN NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1 ZINC000001144966 209306277 /nfs/dbraw/zinc/30/62/77/209306277.db2.gz KEFFVPXBHIXNTM-NTEUORMPSA-N 0 0 390.193 2.614 50 5 GFBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000000994545 209287635 /nfs/dbraw/zinc/28/76/35/209287635.db2.gz XGKFRJNSXUARSY-UHFFFAOYSA-N 0 0 380.426 2.902 50 5 GFBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000976352 209285250 /nfs/dbraw/zinc/28/52/50/209285250.db2.gz LLNZUUBMRQDSOT-UHFFFAOYSA-N 0 0 384.421 2.918 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 ZINC000000956263 209283850 /nfs/dbraw/zinc/28/38/50/209283850.db2.gz DJGWXIBGIWJUPJ-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)OC(N)=C2[N+](=O)[O-])cc1OC ZINC000000716307 209262306 /nfs/dbraw/zinc/26/23/06/209262306.db2.gz LNSLZEFGXCUFTH-OAHLLOKOSA-N 0 0 396.355 2.739 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1N(C[C@@H]1CO1)S(=O)(=O)c1ccc(C)cc1 ZINC000000669923 209256831 /nfs/dbraw/zinc/25/68/31/209256831.db2.gz FOVYQDVVWAUMJS-CQSZACIVSA-N 0 0 378.406 2.506 50 5 GFBARN CSc1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000328591407 209142646 /nfs/dbraw/zinc/14/26/46/209142646.db2.gz IETYIAJLKIZZLP-UHFFFAOYSA-N 0 0 383.433 2.524 50 5 GFBARN O=C(COC(=O)c1cc(F)c(F)c(F)c1F)NCc1ccccc1[N+](=O)[O-] ZINC000061351941 210928214 /nfs/dbraw/zinc/92/82/14/210928214.db2.gz SYNODHADVVIOFS-UHFFFAOYSA-N 0 0 386.257 2.624 50 5 GFBARN Cc1n[nH]c(C)c1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000058306814 210916867 /nfs/dbraw/zinc/91/68/67/210916867.db2.gz CTSGGQJZUKCHAF-UHFFFAOYSA-N 0 0 393.469 2.721 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000056138072 210891130 /nfs/dbraw/zinc/89/11/30/210891130.db2.gz MWSMAGMVFDQFNZ-DLBZAZTESA-N 0 0 380.397 2.933 50 5 GFBARN Cc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000030495292 210555005 /nfs/dbraw/zinc/55/50/05/210555005.db2.gz MAILDDNEXRRCDI-UHFFFAOYSA-N 0 0 376.390 2.798 50 5 GFBARN O=[N+]([O-])c1c(Nc2ccc(N3CCCS3(=O)=O)cc2)nc2sccn21 ZINC000026710824 210502913 /nfs/dbraw/zinc/50/29/13/210502913.db2.gz LGSHBLSLQCMBRU-UHFFFAOYSA-N 0 0 379.423 2.588 50 5 GFBARN O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019831416 210299395 /nfs/dbraw/zinc/29/93/95/210299395.db2.gz CJQOEZBDFGTZAQ-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079017452 136172891 /nfs/dbraw/zinc/17/28/91/136172891.db2.gz SHJBOBIWNCRREH-GFCCVEGCSA-N 0 0 395.403 2.912 50 5 GFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000012528600 136200454 /nfs/dbraw/zinc/20/04/54/136200454.db2.gz RMUVRFQREDVODJ-UHFFFAOYSA-N 0 0 387.348 2.697 50 5 GFBARN C[C@H](Sc1ccsc1[N+](=O)[O-])C(=O)N1CCN(c2ccccn2)CC1 ZINC000005035976 551095826 /nfs/dbraw/zinc/09/58/26/551095826.db2.gz UFAFQWRIFDXLTF-LBPRGKRZSA-N 0 0 378.479 2.881 50 5 GFBARN O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(Cl)c1 ZINC000005195257 551097089 /nfs/dbraw/zinc/09/70/89/551097089.db2.gz JTUNKVXHLBKJSR-UHFFFAOYSA-N 0 0 382.163 2.714 50 5 GFBARN O=C(Nc1cccc(N2CCOC2=O)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049675231 570271868 /nfs/dbraw/zinc/27/18/68/570271868.db2.gz IMPUNRAJRWTEGR-UHFFFAOYSA-N 0 0 393.359 2.989 50 5 GFBARN COc1ccc(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000023393702 570322457 /nfs/dbraw/zinc/32/24/57/570322457.db2.gz YZZYAKOBUWHKIC-NSHDSACASA-N 0 0 393.421 2.890 50 5 GFBARN C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(F)c1 ZINC000007974286 570348552 /nfs/dbraw/zinc/34/85/52/570348552.db2.gz AXHXFEWGTYJUBT-VIFPVBQESA-N 0 0 377.303 2.658 50 5 GFBARN Cc1nc2[nH]c(NCc3cccc([N+](=O)[O-])c3)nn2c(=O)c1Cc1ccccc1 ZINC000100281032 570348816 /nfs/dbraw/zinc/34/88/16/570348816.db2.gz BFGJUXBPMWBUCZ-UHFFFAOYSA-N 0 0 390.403 2.837 50 5 GFBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C ZINC000010912817 570365444 /nfs/dbraw/zinc/36/54/44/570365444.db2.gz RCGRZCISCRAWTR-UHFFFAOYSA-N 0 0 376.409 2.809 50 5 GFBARN COc1ccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 ZINC000035588014 570402043 /nfs/dbraw/zinc/40/20/43/570402043.db2.gz TXLATBOAQWOLOB-UHFFFAOYSA-N 0 0 394.811 2.900 50 5 GFBARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005053403 570406691 /nfs/dbraw/zinc/40/66/91/570406691.db2.gz KLJKXVIRUYQVIO-YGRLFVJLSA-N 0 0 375.406 2.807 50 5 GFBARN CCCCn1c(=O)c2ccc3c(=O)n(CCCC)c(=O)c4ccc(c1=O)c2c34 ZINC000004824325 570409127 /nfs/dbraw/zinc/40/91/27/570409127.db2.gz MVDMWLANUKRBLO-UHFFFAOYSA-N 0 0 378.428 2.666 50 5 GFBARN CSc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1[N+](=O)[O-] ZINC000005197292 570499952 /nfs/dbraw/zinc/49/99/52/570499952.db2.gz AIRWDAXIYOTLNR-UHFFFAOYSA-N 0 0 385.401 2.990 50 5 GFBARN O=C1C[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])CN1CCc1ccccc1 ZINC000079061648 570510548 /nfs/dbraw/zinc/51/05/48/570510548.db2.gz KZDMPBPHTYUDBI-INIZCTEOSA-N 0 0 379.420 2.746 50 5 GFBARN CCN1CCN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005249693 570525215 /nfs/dbraw/zinc/52/52/15/570525215.db2.gz XIIOSROWOZONMI-UHFFFAOYSA-N 0 0 377.836 2.506 50 5 GFBARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000006661911 570525705 /nfs/dbraw/zinc/52/57/05/570525705.db2.gz UZRGKCGQRAAZOL-LBPRGKRZSA-N 0 0 398.371 2.626 50 5 GFBARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000005355087 570560129 /nfs/dbraw/zinc/56/01/29/570560129.db2.gz YBNAKJKGWVDMRP-GFCCVEGCSA-N 0 0 392.433 2.920 50 5 GFBARN Cc1cc(C)n(-c2nc(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)n1 ZINC000004331214 570575122 /nfs/dbraw/zinc/57/51/22/570575122.db2.gz UFUNUHRFSHEUFA-UHFFFAOYSA-N 0 0 393.451 2.822 50 5 GFBARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1 ZINC000005400522 570585201 /nfs/dbraw/zinc/58/52/01/570585201.db2.gz MCLHJQZADGXOND-UHFFFAOYSA-N 0 0 392.371 2.660 50 5 GFBARN Cc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1F ZINC000005400626 570585348 /nfs/dbraw/zinc/58/53/48/570585348.db2.gz FOBPGRKGQAAQPA-UHFFFAOYSA-N 0 0 382.351 2.905 50 5 GFBARN COc1ccc(COC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000032670135 570727373 /nfs/dbraw/zinc/72/73/73/570727373.db2.gz SMAPCLWXMQJDPX-LLVKDONJSA-N 0 0 376.340 2.604 50 5 GFBARN CCCS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000052103461 570734648 /nfs/dbraw/zinc/73/46/48/570734648.db2.gz KMEIQRIHQGHOHE-UHFFFAOYSA-N 0 0 378.454 2.759 50 5 GFBARN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCC1=CCCCC1 ZINC000032724198 570768886 /nfs/dbraw/zinc/76/88/86/570768886.db2.gz VFOKPTNPSWXQPB-GFCCVEGCSA-N 0 0 390.392 2.876 50 5 GFBARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)[nH]c1=O ZINC000007421939 570840308 /nfs/dbraw/zinc/84/03/08/570840308.db2.gz MFLQJJNGPDFJSL-UHFFFAOYSA-N 0 0 396.407 2.604 50 5 GFBARN COc1cccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000007457260 570845369 /nfs/dbraw/zinc/84/53/69/570845369.db2.gz NHJNIRJQPRYBFA-UHFFFAOYSA-N 0 0 387.392 2.540 50 5 GFBARN CCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000009908596 570886903 /nfs/dbraw/zinc/88/69/03/570886903.db2.gz JWTIFCKSXIFVAI-MRXNPFEDSA-N 0 0 382.804 2.687 50 5 GFBARN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C1=O ZINC000103545149 570886956 /nfs/dbraw/zinc/88/69/56/570886956.db2.gz RAPOUFQYDHXOJB-GOEBONIOSA-N 0 0 385.763 2.849 50 5 GFBARN C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F ZINC000032895582 570887048 /nfs/dbraw/zinc/88/70/48/570887048.db2.gz GTHUDEIPFPXIGF-LLVKDONJSA-N 0 0 396.396 2.935 50 5 GFBARN O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000032923120 570934519 /nfs/dbraw/zinc/93/45/19/570934519.db2.gz PCDKDLFEFAQGOE-UHFFFAOYSA-N 0 0 382.399 2.772 50 5 GFBARN O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc12 ZINC000004708645 570986706 /nfs/dbraw/zinc/98/67/06/570986706.db2.gz ZDJIHTHTTYKUAL-UHFFFAOYSA-N 0 0 391.452 2.989 50 5 GFBARN Cc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc([N+](=O)[O-])c2C)cc1 ZINC000001426274 570997018 /nfs/dbraw/zinc/99/70/18/570997018.db2.gz QYOHXTUZIJPPMX-UHFFFAOYSA-N 0 0 383.404 2.936 50 5 GFBARN NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000027357577 570997176 /nfs/dbraw/zinc/99/71/76/570997176.db2.gz MYANQILFAGANEM-MRXNPFEDSA-N 0 0 383.404 2.802 50 5 GFBARN CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2)N1C ZINC000252624467 571037865 /nfs/dbraw/zinc/03/78/65/571037865.db2.gz POLLWOGOMWINIK-WCIQWLHISA-N 0 0 398.415 2.763 50 5 GFBARN Cc1cc2c(nc3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n23)c(C)c1 ZINC000001196567 212228735 /nfs/dbraw/zinc/22/87/35/212228735.db2.gz WWXQLCJEPMGOBK-SOFYXZRVSA-N 0 0 395.396 2.711 50 5 GFBARN CCOc1c2oc(C(=O)N3CCN(C)CC3)c(C)c2cc([N+](=O)[O-])c1OCC ZINC000000771844 212179361 /nfs/dbraw/zinc/17/93/61/212179361.db2.gz KFZYUPYVMRZVKA-UHFFFAOYSA-N 0 0 391.424 2.834 50 5 GFBARN Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000000653587 212169836 /nfs/dbraw/zinc/16/98/36/212169836.db2.gz KQLITUAYOMONFT-UHFFFAOYSA-N 0 0 386.387 2.890 50 5 GFBARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ncnc2cc([N+](=O)[O-])ccc21 ZINC000002664095 220549728 /nfs/dbraw/zinc/54/97/28/220549728.db2.gz KKAFRUNBIZAKAQ-UHFFFAOYSA-N 0 0 398.375 2.921 50 5 GFBARN O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004159791 220686423 /nfs/dbraw/zinc/68/64/23/220686423.db2.gz ZZJMHGIKSYYKNR-UHFFFAOYSA-N 0 0 375.340 2.983 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1COc2ccccc2O1 ZINC000005216549 220845805 /nfs/dbraw/zinc/84/58/05/220845805.db2.gz ZLBFQXSWNDEAHF-GFCCVEGCSA-N 0 0 378.768 2.583 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nc2ccccc2s1 ZINC000007063108 220984859 /nfs/dbraw/zinc/98/48/59/220984859.db2.gz HPYZNESLNFCQAG-UHFFFAOYSA-N 0 0 397.368 2.544 50 5 GFBARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000007605034 221002321 /nfs/dbraw/zinc/00/23/21/221002321.db2.gz KFGKQHXMNWJPCH-LLVKDONJSA-N 0 0 376.369 2.565 50 5 GFBARN CN(CC(=O)Nc1cccc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008093605 221027187 /nfs/dbraw/zinc/02/71/87/221027187.db2.gz OGFWOMSJKRBQTA-UHFFFAOYSA-N 0 0 375.356 2.671 50 5 GFBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(N2CCOCC2)s1 ZINC000008179248 221029345 /nfs/dbraw/zinc/02/93/45/221029345.db2.gz AXWIZPFIRPJAIR-PTNGSMBKSA-N 0 0 385.401 2.837 50 5 GFBARN COc1cccc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000008249057 221032984 /nfs/dbraw/zinc/03/29/84/221032984.db2.gz VMIBGTFYLGLKGJ-UHFFFAOYSA-N 0 0 385.376 2.608 50 5 GFBARN COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2=O)cc1 ZINC000008782337 221057991 /nfs/dbraw/zinc/05/79/91/221057991.db2.gz FZRFPHWAIGAUSV-LBPRGKRZSA-N 0 0 385.376 2.604 50 5 GFBARN Cc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000008767920 221057114 /nfs/dbraw/zinc/05/71/14/221057114.db2.gz YVRMLZZEFHHMOZ-DLBZAZTESA-N 0 0 387.417 2.515 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000009562987 221085039 /nfs/dbraw/zinc/08/50/39/221085039.db2.gz JBECZFPTTALIOT-UHFFFAOYSA-N 0 0 376.325 2.571 50 5 GFBARN CC(=O)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCCO2 ZINC000009028521 221068082 /nfs/dbraw/zinc/06/80/82/221068082.db2.gz ILTQMOHMUDWYPM-UHFFFAOYSA-N 0 0 387.304 2.729 50 5 GFBARN CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000009850757 221092585 /nfs/dbraw/zinc/09/25/85/221092585.db2.gz ZMXKLINXYALPHI-UHFFFAOYSA-N 0 0 397.438 2.534 50 5 GFBARN Cc1cccc(NS(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000011692343 221121856 /nfs/dbraw/zinc/12/18/56/221121856.db2.gz ACJAFSYLKUNZBB-UHFFFAOYSA-N 0 0 377.422 2.541 50 5 GFBARN Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000012447683 221196633 /nfs/dbraw/zinc/19/66/33/221196633.db2.gz OAWJHDJDBKWGBO-SFHVURJKSA-N 0 0 378.388 2.900 50 5 GFBARN CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC000012528281 221202820 /nfs/dbraw/zinc/20/28/20/221202820.db2.gz OVYSOLYIYVSRRU-OAHLLOKOSA-N 0 0 397.497 2.775 50 5 GFBARN NC(=O)c1ccc(CNc2ccccc2I)c([N+](=O)[O-])c1 ZINC000012824897 221237329 /nfs/dbraw/zinc/23/73/29/221237329.db2.gz MFBLELIWJXONBO-UHFFFAOYSA-N 0 0 397.172 2.910 50 5 GFBARN COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000012948635 221249946 /nfs/dbraw/zinc/24/99/46/221249946.db2.gz PSGDZDSWXYUNMO-UHFFFAOYSA-N 0 0 383.404 2.510 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000014240878 221305439 /nfs/dbraw/zinc/30/54/39/221305439.db2.gz VDFIRWUJLDILFR-UHFFFAOYSA-N 0 0 389.477 2.800 50 5 GFBARN COC(=O)c1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000015540995 221336203 /nfs/dbraw/zinc/33/62/03/221336203.db2.gz CFRODVAFXMDZBY-VOTSOKGWSA-N 0 0 385.328 2.787 50 5 GFBARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000018094646 221387427 /nfs/dbraw/zinc/38/74/27/221387427.db2.gz NIGYNXNTYFGZOE-UHFFFAOYSA-N 0 0 391.405 2.528 50 5 GFBARN Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000005375389 136194859 /nfs/dbraw/zinc/19/48/59/136194859.db2.gz ATTCTOPKVHJFHI-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN CC(=O)c1ccc(N2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000021322773 221531546 /nfs/dbraw/zinc/53/15/46/221531546.db2.gz UOTSNOUSYKGICF-UHFFFAOYSA-N 0 0 379.420 2.927 50 5 GFBARN COc1ccc(OC)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000021694470 221536738 /nfs/dbraw/zinc/53/67/38/221536738.db2.gz XQHNECIOQMZCKC-UHFFFAOYSA-N 0 0 375.333 2.836 50 5 GFBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccn2)CC1 ZINC000023424209 221595683 /nfs/dbraw/zinc/59/56/83/221595683.db2.gz OFXLCIQXNLROGJ-ZDUSSCGKSA-N 0 0 389.843 2.792 50 5 GFBARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)nc1 ZINC000052449981 222006258 /nfs/dbraw/zinc/00/62/58/222006258.db2.gz UGKQGFZIVJCXLG-AWEZNQCLSA-N 0 0 380.408 2.801 50 5 GFBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000058196091 222044403 /nfs/dbraw/zinc/04/44/03/222044403.db2.gz LQYZUFJOQDOXOQ-INIZCTEOSA-N 0 0 375.450 2.541 50 5 GFBARN Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000066677450 222140283 /nfs/dbraw/zinc/14/02/83/222140283.db2.gz ISIISWOSTBXCCI-UHFFFAOYSA-N 0 0 397.431 2.703 50 5 GFBARN Cc1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)c([N+](=O)[O-])c1 ZINC000071260528 222178360 /nfs/dbraw/zinc/17/83/60/222178360.db2.gz PKUNOUAWLRCEKE-UHFFFAOYSA-N 0 0 388.453 2.967 50 5 GFBARN COC(=O)c1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000003235627 536878446 /nfs/dbraw/zinc/87/84/46/536878446.db2.gz FIFRWACFAKKSSY-UHFFFAOYSA-N 0 0 398.371 2.518 50 5 GFBARN CS(=O)(=O)c1ccc(Sc2nnnn2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000015117957 551110537 /nfs/dbraw/zinc/11/05/37/551110537.db2.gz GDFQTKMKMWJHFN-UHFFFAOYSA-N 0 0 383.455 2.641 50 5 GFBARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006046371 570222859 /nfs/dbraw/zinc/22/28/59/570222859.db2.gz VVZIGWBAAKKWFZ-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN CC[C@H](C)n1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccccn1c2=O ZINC000100628114 570272000 /nfs/dbraw/zinc/27/20/00/570272000.db2.gz AEMJXYGRVGVPFK-ZDUSSCGKSA-N 0 0 391.431 2.623 50 5 GFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000004844844 570317865 /nfs/dbraw/zinc/31/78/65/570317865.db2.gz RGIBTVLGQIQDQP-HUUCEWRRSA-N 0 0 397.497 2.629 50 5 GFBARN Cc1nc(COc2ccccc2C(=O)NCCNc2ccccc2[N+](=O)[O-])no1 ZINC000023626752 570328548 /nfs/dbraw/zinc/32/85/48/570328548.db2.gz GOPOSJKPCKQMGA-UHFFFAOYSA-N 0 0 397.391 2.707 50 5 GFBARN Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)cc(-c3cccs3)nc2n(C)c1=O ZINC000026503518 570338074 /nfs/dbraw/zinc/33/80/74/570338074.db2.gz SDCNMAUWLYHKQR-UHFFFAOYSA-N 0 0 394.412 2.936 50 5 GFBARN COC(=O)c1ccc(OCC(=O)c2ccc(OC)cc2OC)c([N+](=O)[O-])c1 ZINC000024937901 570357028 /nfs/dbraw/zinc/35/70/28/570357028.db2.gz IFILGSZJEFRKLT-UHFFFAOYSA-N 0 0 375.333 2.660 50 5 GFBARN CCn1c(=O)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000005067150 570410264 /nfs/dbraw/zinc/41/02/64/570410264.db2.gz WFHSBPRIGTYTQD-UHFFFAOYSA-N 0 0 397.387 2.956 50 5 GFBARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 ZINC000005400849 570586494 /nfs/dbraw/zinc/58/64/94/570586494.db2.gz XTGYOQLLFWMYLH-UHFFFAOYSA-N 0 0 392.371 2.660 50 5 GFBARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000005450777 570599114 /nfs/dbraw/zinc/59/91/14/570599114.db2.gz DIJDUTMGKMBABV-LBPRGKRZSA-N 0 0 392.433 2.920 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccc(Cl)cc1 ZINC000005847536 570796674 /nfs/dbraw/zinc/79/66/74/570796674.db2.gz PRSRZHIOJVWOHF-UHFFFAOYSA-N 0 0 378.768 2.692 50 5 GFBARN Cc1c(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000007980033 570798979 /nfs/dbraw/zinc/79/89/79/570798979.db2.gz DWAUHNNYOLIKDQ-SOFGYWHQSA-N 0 0 398.371 2.870 50 5 GFBARN CN(C)S(=O)(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005912810 570803699 /nfs/dbraw/zinc/80/36/99/570803699.db2.gz KFBZZWACCXVNMI-UHFFFAOYSA-N 0 0 399.812 2.686 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2coc(-c3ccc(C)cc3C)n2)c1=O ZINC000032769797 570804047 /nfs/dbraw/zinc/80/40/47/570804047.db2.gz SKCWCDAWAUMQDD-UHFFFAOYSA-N 0 0 383.360 2.863 50 5 GFBARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004663589 570811604 /nfs/dbraw/zinc/81/16/04/570811604.db2.gz MWPBSUKOPIFDQD-KRXBUXKQSA-N 0 0 381.388 2.686 50 5 GFBARN Cc1csc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(=O)c12 ZINC000004705436 570842796 /nfs/dbraw/zinc/84/27/96/570842796.db2.gz CBHWITLLBYEVJO-UHFFFAOYSA-N 0 0 376.419 2.932 50 5 GFBARN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 ZINC000004705134 570842815 /nfs/dbraw/zinc/84/28/15/570842815.db2.gz JWXCVBBTEBPGEL-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN Cc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)s1 ZINC000032831871 570844910 /nfs/dbraw/zinc/84/49/10/570844910.db2.gz VBDORMWMMSRCLJ-UHFFFAOYSA-N 0 0 395.400 2.743 50 5 GFBARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000046406917 570855281 /nfs/dbraw/zinc/85/52/81/570855281.db2.gz ILEYAXUSHHZKSZ-AWEZNQCLSA-N 0 0 380.408 2.923 50 5 GFBARN CCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004711051 570855723 /nfs/dbraw/zinc/85/57/23/570855723.db2.gz LWMIYYQXBSVSBA-UHFFFAOYSA-N 0 0 390.387 2.547 50 5 GFBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccco1 ZINC000004561786 570885809 /nfs/dbraw/zinc/88/58/09/570885809.db2.gz YXJJSHOMDYVRSV-UHFFFAOYSA-N 0 0 394.840 2.678 50 5 GFBARN O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103541927 570886103 /nfs/dbraw/zinc/88/61/03/570886103.db2.gz CLZVPFLJJJAYNG-ZFWWWQNUSA-N 0 0 389.726 2.680 50 5 GFBARN Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004807445 570996897 /nfs/dbraw/zinc/99/68/97/570996897.db2.gz IPMOXDOVIKBSHS-HNNXBMFYSA-N 0 0 384.421 2.899 50 5 GFBARN Cc1ccccc1CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045797770 570997274 /nfs/dbraw/zinc/99/72/74/570997274.db2.gz BJSQNZIINGCOMK-UHFFFAOYSA-N 0 0 389.477 2.551 50 5 GFBARN O=C(NCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1 ZINC000012360103 230878746 /nfs/dbraw/zinc/87/87/46/230878746.db2.gz KFOGNQKBIPCNAK-UHFFFAOYSA-N 0 0 394.366 2.785 50 5 GFBARN COc1ccc(OC)c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 ZINC000001430645 212245160 /nfs/dbraw/zinc/24/51/60/212245160.db2.gz GKIZGVJXLFGFLL-UHFFFAOYSA-N 0 0 399.201 2.518 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201953 212228009 /nfs/dbraw/zinc/22/80/09/212228009.db2.gz GSUCXRIRICNJGN-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000001117004 212218933 /nfs/dbraw/zinc/21/89/33/212218933.db2.gz ZPLRIVVPHLYGHO-UHFFFAOYSA-N 0 0 397.840 2.649 50 5 GFBARN O=C1c2ccccc2C(=O)N1CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001115769 212218518 /nfs/dbraw/zinc/21/85/18/212218518.db2.gz PQAOFJCRCDDOKZ-UHFFFAOYSA-N 0 0 378.344 2.874 50 5 GFBARN O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000001033726 212207130 /nfs/dbraw/zinc/20/71/30/212207130.db2.gz YPGJXHCNTADQRB-UHFFFAOYSA-N 0 0 396.794 2.646 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3Cl)n12 ZINC000001064062 212212247 /nfs/dbraw/zinc/21/22/47/212212247.db2.gz PQBKHWSSIDPFRG-ZROIWOOFSA-N 0 0 384.804 2.927 50 5 GFBARN COc1cc(CSc2n[nH]c(=O)n2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000009691821 212206461 /nfs/dbraw/zinc/20/64/61/212206461.db2.gz XYJGQPZBXNZSSF-UHFFFAOYSA-N 0 0 388.352 2.717 50 5 GFBARN CC[C@H](C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754952 212179217 /nfs/dbraw/zinc/17/92/17/212179217.db2.gz QBSAUYUTRCTFEZ-SCLBCKFNSA-N 0 0 395.415 2.717 50 5 GFBARN O=C(c1ccc(Br)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004457762 212146875 /nfs/dbraw/zinc/14/68/75/212146875.db2.gz JNFIJENQNVTMLK-UHFFFAOYSA-N 0 0 380.198 2.913 50 5 GFBARN Cc1nn(Cc2ccccc2C(=O)NC[C@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000002795444 220566405 /nfs/dbraw/zinc/56/64/05/220566405.db2.gz BNQSQGNWTMIOGL-IBGZPJMESA-N 0 0 394.431 2.920 50 5 GFBARN CN(Cc1ccc(Cl)cc1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004515875 220724383 /nfs/dbraw/zinc/72/43/83/220724383.db2.gz DCEKGUSDUFYFJM-UHFFFAOYSA-N 0 0 386.795 2.617 50 5 GFBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3Cl)n12 ZINC000004834280 220772080 /nfs/dbraw/zinc/77/20/80/220772080.db2.gz PQBKHWSSIDPFRG-NTEUORMPSA-N 0 0 384.804 2.927 50 5 GFBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000007779674 221010942 /nfs/dbraw/zinc/01/09/42/221010942.db2.gz GZZDBQFODSCUAU-AWEZNQCLSA-N 0 0 391.449 2.789 50 5 GFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008245972 221033220 /nfs/dbraw/zinc/03/32/20/221033220.db2.gz YKPOYQHEIADQDV-ZDUSSCGKSA-N 0 0 389.358 2.903 50 5 GFBARN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000009114223 221070525 /nfs/dbraw/zinc/07/05/25/221070525.db2.gz YHOLWLNJYVVAHN-UHFFFAOYSA-N 0 0 387.739 2.810 50 5 GFBARN Cc1ccc(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])n1 ZINC000009119099 221070591 /nfs/dbraw/zinc/07/05/91/221070591.db2.gz OBJSTUMJVCZIAI-UHFFFAOYSA-N 0 0 381.392 2.521 50 5 GFBARN CCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000009908598 221094476 /nfs/dbraw/zinc/09/44/76/221094476.db2.gz JWTIFCKSXIFVAI-INIZCTEOSA-N 0 0 382.804 2.687 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000011549196 221117679 /nfs/dbraw/zinc/11/76/79/221117679.db2.gz FLLMINJQFPJWIR-UHFFFAOYSA-N 0 0 384.392 2.781 50 5 GFBARN O=C(CSc1nc2ccccc2c2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000012139482 221157261 /nfs/dbraw/zinc/15/72/61/221157261.db2.gz BJASZJMMYRHHGR-ZDUSSCGKSA-N 0 0 386.498 2.783 50 5 GFBARN CN(C)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000012625828 221215811 /nfs/dbraw/zinc/21/58/11/221215811.db2.gz PZEGMSWPZYPPJJ-UHFFFAOYSA-N 0 0 379.420 2.836 50 5 GFBARN O=C(c1ccccc1OC(F)F)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000012735847 221222183 /nfs/dbraw/zinc/22/21/83/221222183.db2.gz YEAQAHCKKKJREJ-UHFFFAOYSA-N 0 0 378.335 2.554 50 5 GFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCOc1cccc(Cl)c1 ZINC000012757530 221226976 /nfs/dbraw/zinc/22/69/76/221226976.db2.gz SYXWPUMXCMQXRO-UHFFFAOYSA-N 0 0 378.768 2.600 50 5 GFBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NS(C)(=O)=O ZINC000012822392 221237490 /nfs/dbraw/zinc/23/74/90/221237490.db2.gz JHHBWIFQBSWVNN-UHFFFAOYSA-N 0 0 379.394 2.536 50 5 GFBARN CN1C(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2C1=O ZINC000012855642 221239045 /nfs/dbraw/zinc/23/90/45/221239045.db2.gz ABCMXNWXHKYNLV-UHFFFAOYSA-N 0 0 394.387 2.673 50 5 GFBARN Cc1csc(=O)n1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012987173 221253051 /nfs/dbraw/zinc/25/30/51/221253051.db2.gz XWRMYKRBQJOKEV-UHFFFAOYSA-N 0 0 376.419 2.889 50 5 GFBARN COc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000013012879 221258053 /nfs/dbraw/zinc/25/80/53/221258053.db2.gz WINHFZXAEJTNFO-GFCCVEGCSA-N 0 0 392.433 2.840 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000015178523 221333770 /nfs/dbraw/zinc/33/37/70/221333770.db2.gz LKLOBJUUEJICKD-ZDUSSCGKSA-N 0 0 391.449 2.678 50 5 GFBARN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000015378124 221335107 /nfs/dbraw/zinc/33/51/07/221335107.db2.gz RGYPNOPBKLZUIL-CYBMUJFWSA-N 0 0 397.391 2.757 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000015913354 221352674 /nfs/dbraw/zinc/35/26/74/221352674.db2.gz IMORSXGMFHIWIB-MRXNPFEDSA-N 0 0 397.347 2.770 50 5 GFBARN COc1ccc2ncccc2c1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095481781 533354033 /nfs/dbraw/zinc/35/40/33/533354033.db2.gz ZTJXSODTCDZEAY-UHFFFAOYSA-N 0 0 384.373 2.713 50 5 GFBARN CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000007802984 136195288 /nfs/dbraw/zinc/19/52/88/136195288.db2.gz QDENKQCOYOPSDF-UHFFFAOYSA-N 0 0 385.420 2.965 50 5 GFBARN Cc1c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cccc1[N+](=O)[O-] ZINC000022985356 221578151 /nfs/dbraw/zinc/57/81/51/221578151.db2.gz JYPIVZMBYONVCW-UHFFFAOYSA-N 0 0 384.417 2.802 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000024905719 221621445 /nfs/dbraw/zinc/62/14/45/221621445.db2.gz AAFXZDSJDHLJCA-UHFFFAOYSA-N 0 0 379.394 2.533 50 5 GFBARN COCCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1OC ZINC000048353813 221987742 /nfs/dbraw/zinc/98/77/42/221987742.db2.gz CMKWNJDVFHGASB-LBPRGKRZSA-N 0 0 389.408 2.823 50 5 GFBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000064819714 222084168 /nfs/dbraw/zinc/08/41/68/222084168.db2.gz OZKJFYGMFIQNJH-OAHLLOKOSA-N 0 0 391.181 2.991 50 5 GFBARN C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000095988852 222369150 /nfs/dbraw/zinc/36/91/50/222369150.db2.gz PIWVKQHYWODEMH-QWHCGFSZSA-N 0 0 399.469 2.613 50 5 GFBARN CCCCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004998677 551096126 /nfs/dbraw/zinc/09/61/26/551096126.db2.gz HMANAEIUPFEHPI-UHFFFAOYSA-N 0 0 384.889 2.962 50 5 GFBARN Cc1cc(F)c2c(c1)CCCN2C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000043267216 570297875 /nfs/dbraw/zinc/29/78/75/570297875.db2.gz OUTSYWCWHDIHKW-UHFFFAOYSA-N 0 0 397.362 2.618 50 5 GFBARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)c1 ZINC000004855097 570349162 /nfs/dbraw/zinc/34/91/62/570349162.db2.gz KYUBEQUGKLMBOK-UHFFFAOYSA-N 0 0 384.421 2.606 50 5 GFBARN CCCOc1ccnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000006265146 570353574 /nfs/dbraw/zinc/35/35/74/570353574.db2.gz JCJJRSUIAFIOIB-UHFFFAOYSA-N 0 0 378.410 2.913 50 5 GFBARN Cc1ccc(-n2nnc3c2ncn(Cc2ccc([N+](=O)[O-])cc2)c3=O)cc1C ZINC000005057174 570407559 /nfs/dbraw/zinc/40/75/59/570407559.db2.gz LIIWRIATUVKBPC-UHFFFAOYSA-N 0 0 376.376 2.551 50 5 GFBARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000006552321 570474769 /nfs/dbraw/zinc/47/47/69/570474769.db2.gz UXTZLDMPNYMKTC-UHFFFAOYSA-N 0 0 378.406 2.716 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000005428892 570591609 /nfs/dbraw/zinc/59/16/09/570591609.db2.gz RECBPGSVOJODRZ-UHFFFAOYSA-N 0 0 394.796 2.777 50 5 GFBARN CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681802 570602431 /nfs/dbraw/zinc/60/24/31/570602431.db2.gz KOXNEMYBQQKDFD-QUCCMNQESA-N 0 0 380.448 2.598 50 5 GFBARN CN1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857615 570649314 /nfs/dbraw/zinc/64/93/14/570649314.db2.gz AXZKTRBBTDORCU-HNNXBMFYSA-N 0 0 388.405 2.802 50 5 GFBARN COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000005637590 570678129 /nfs/dbraw/zinc/67/81/29/570678129.db2.gz LCKHVHBZZWVGMI-GOSISDBHSA-N 0 0 393.465 2.722 50 5 GFBARN Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000006912059 570699594 /nfs/dbraw/zinc/69/95/94/570699594.db2.gz NNKGXUROKWXKID-UHFFFAOYSA-N 0 0 393.469 2.863 50 5 GFBARN O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006927032 570708279 /nfs/dbraw/zinc/70/82/79/570708279.db2.gz RXBMIHSASINWKR-OAHLLOKOSA-N 0 0 399.281 2.849 50 5 GFBARN C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)NC1CCCC1 ZINC000025107415 570724613 /nfs/dbraw/zinc/72/46/13/570724613.db2.gz XLNVMGOQCDBMSS-AWEZNQCLSA-N 0 0 389.452 2.802 50 5 GFBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000004660691 570810565 /nfs/dbraw/zinc/81/05/65/570810565.db2.gz TZZIVFJXRHEITO-UHFFFAOYSA-N 0 0 375.425 2.564 50 5 GFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004687311 570828285 /nfs/dbraw/zinc/82/82/85/570828285.db2.gz GVQWKRBLVCCVSU-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@H](O)c1ccccc1F ZINC000032810143 570832741 /nfs/dbraw/zinc/83/27/41/570832741.db2.gz DVGVZZRMFNJMAL-SFHVURJKSA-N 0 0 398.394 2.778 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)CCCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000004689619 570834832 /nfs/dbraw/zinc/83/48/32/570834832.db2.gz LSYBKMBKROHJPT-UHFFFAOYSA-N 0 0 378.410 2.547 50 5 GFBARN C[C@H](OC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000037115294 570838567 /nfs/dbraw/zinc/83/85/67/570838567.db2.gz FAXMAECEODAVAP-MJBXVCDLSA-N 0 0 377.441 2.711 50 5 GFBARN Cc1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000004577017 570894161 /nfs/dbraw/zinc/89/41/61/570894161.db2.gz PMRNVQBYWHXUBU-UHFFFAOYSA-N 0 0 396.403 2.719 50 5 GFBARN Cc1cccn(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1=N ZINC000105124986 570915614 /nfs/dbraw/zinc/91/56/14/570915614.db2.gz WANQNTZJVPUYNX-UHFFFAOYSA-N 0 0 397.172 2.672 50 5 GFBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCCO2 ZINC000004741876 570954764 /nfs/dbraw/zinc/95/47/64/570954764.db2.gz LQQKOYMISPSFPT-UHFFFAOYSA-N 0 0 386.389 2.973 50 5 GFBARN N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1nonc1-n1cccc1 ZINC000012360568 230878737 /nfs/dbraw/zinc/87/87/37/230878737.db2.gz KENDKAHDAGGNPC-DVRCQMLRSA-N 0 0 382.361 2.824 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)c(F)c1 ZINC000001429869 212245296 /nfs/dbraw/zinc/24/52/96/212245296.db2.gz RLXLZIMELAGLTP-UHFFFAOYSA-N 0 0 375.129 2.779 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(F)ccc1F ZINC000001429871 212244788 /nfs/dbraw/zinc/24/47/88/212244788.db2.gz ZYIIGRVTKVIREJ-UHFFFAOYSA-N 0 0 375.129 2.779 50 5 GFBARN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000010253170 212239964 /nfs/dbraw/zinc/23/99/64/212239964.db2.gz UBTQIEVBOQWCBI-UHFFFAOYSA-N 0 0 378.406 2.578 50 5 GFBARN CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 ZINC000001166657 212225418 /nfs/dbraw/zinc/22/54/18/212225418.db2.gz FFUGGXJKOSFECQ-WJDWOHSUSA-N 0 0 394.412 2.673 50 5 GFBARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000000956286 212199787 /nfs/dbraw/zinc/19/97/87/212199787.db2.gz KHDXAMQFHOMKNU-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN CC[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754954 212179614 /nfs/dbraw/zinc/17/96/14/212179614.db2.gz QBSAUYUTRCTFEZ-UGSOOPFHSA-N 0 0 395.415 2.717 50 5 GFBARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002092026 220502447 /nfs/dbraw/zinc/50/24/47/220502447.db2.gz URKJZVFGVNLMHC-INIZCTEOSA-N 0 0 391.380 2.637 50 5 GFBARN Cc1ccc([C@]2(C)NC(=O)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2=O)cc1 ZINC000003311473 220626257 /nfs/dbraw/zinc/62/62/57/220626257.db2.gz JGSGIHZBEOQYQH-FQEVSTJZSA-N 0 0 397.387 2.737 50 5 GFBARN CCNc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004703587 220751016 /nfs/dbraw/zinc/75/10/16/220751016.db2.gz LHROCLOQTKHLAR-UHFFFAOYSA-N 0 0 384.436 2.998 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000004740531 220758856 /nfs/dbraw/zinc/75/88/56/220758856.db2.gz GIKWRNJJWUUOAH-UHFFFAOYSA-N 0 0 395.868 2.900 50 5 GFBARN CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004820639 220768968 /nfs/dbraw/zinc/76/89/68/220768968.db2.gz GPKKMJMLODQKPB-UHFFFAOYSA-N 0 0 391.449 2.773 50 5 GFBARN CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005034594 220817708 /nfs/dbraw/zinc/81/77/08/220817708.db2.gz WBGIJUIOKIXLEI-UHFFFAOYSA-N 0 0 388.405 2.676 50 5 GFBARN Cc1cccc(N2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)c1 ZINC000005422805 220867137 /nfs/dbraw/zinc/86/71/37/220867137.db2.gz HGQVSYTZYJKTMA-SFHVURJKSA-N 0 0 378.388 2.900 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000005427587 220868344 /nfs/dbraw/zinc/86/83/44/220868344.db2.gz RDGFMXLYKGTMEI-UHFFFAOYSA-N 0 0 394.796 2.777 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(OCc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000007777609 221009885 /nfs/dbraw/zinc/00/98/85/221009885.db2.gz RMKRBIAMLXXAIS-UHFFFAOYSA-N 0 0 383.426 2.809 50 5 GFBARN O=C(COc1cccc(Br)c1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000007842728 221014518 /nfs/dbraw/zinc/01/45/18/221014518.db2.gz CENIIKHZKAGXSX-OAHLLOKOSA-N 0 0 395.209 2.586 50 5 GFBARN CCCN1C(=S)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCOC)=C1C ZINC000007551971 221001265 /nfs/dbraw/zinc/00/12/65/221001265.db2.gz NPVDXQLMPBHPJK-MRXNPFEDSA-N 0 0 393.465 2.700 50 5 GFBARN CCOc1ccccc1-c1noc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 ZINC000008709319 221050587 /nfs/dbraw/zinc/05/05/87/221050587.db2.gz ICZKADBVNWNCHE-UHFFFAOYSA-N 0 0 394.343 2.840 50 5 GFBARN Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2c1cnn2C(C)C ZINC000008728680 221052773 /nfs/dbraw/zinc/05/27/73/221052773.db2.gz KGTKNOZRQLBIPR-UHFFFAOYSA-N 0 0 376.394 2.997 50 5 GFBARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000009426464 221080022 /nfs/dbraw/zinc/08/00/22/221080022.db2.gz GPBRMOSGUJJVCQ-CQSZACIVSA-N 0 0 399.403 2.765 50 5 GFBARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010532067 221105522 /nfs/dbraw/zinc/10/55/22/221105522.db2.gz PSPKFNKGVWRFKR-MNOVXSKESA-N 0 0 375.356 2.739 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000010826745 221108163 /nfs/dbraw/zinc/10/81/63/221108163.db2.gz INILKFZQWTZITP-LBPRGKRZSA-N 0 0 384.392 2.779 50 5 GFBARN COc1cccc(-n2nnc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2C)c1 ZINC000009970556 221094926 /nfs/dbraw/zinc/09/49/26/221094926.db2.gz RAIJKDDAWNGTHE-UHFFFAOYSA-N 0 0 383.364 2.753 50 5 GFBARN CCn1c2ccccc2n(CC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000012927652 221247364 /nfs/dbraw/zinc/24/73/64/221247364.db2.gz LDWGILHNPZFFFJ-CQSZACIVSA-N 0 0 382.420 2.951 50 5 GFBARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000015816561 221346151 /nfs/dbraw/zinc/34/61/51/221346151.db2.gz JYDHOOKOIVAOGL-AWEZNQCLSA-N 0 0 377.441 2.903 50 5 GFBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(NCCN3CCOCC3)n2)cc1 ZINC000019792020 221454144 /nfs/dbraw/zinc/45/41/44/221454144.db2.gz CYHMICNZCNNMLV-UHFFFAOYSA-N 0 0 379.420 2.949 50 5 GFBARN C[C@H](SCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040141965 132399773 /nfs/dbraw/zinc/39/97/73/132399773.db2.gz RHAWYRCNHJBBGW-HNNXBMFYSA-N 0 0 386.477 2.960 50 5 GFBARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000057363959 132451069 /nfs/dbraw/zinc/45/10/69/132451069.db2.gz FERAEISQQBRYOK-UHFFFAOYSA-N 0 0 390.827 2.715 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438373 136194889 /nfs/dbraw/zinc/19/48/89/136194889.db2.gz NMPLYLRQGKXAKV-UHFFFAOYSA-N 0 0 375.406 2.777 50 5 GFBARN CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000025130365 221626066 /nfs/dbraw/zinc/62/60/66/221626066.db2.gz FQROZTAMJGDCDP-UHFFFAOYSA-N 0 0 398.824 2.856 50 5 GFBARN Nc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)nc2ccccc12 ZINC000029584748 221696031 /nfs/dbraw/zinc/69/60/31/221696031.db2.gz JXNQSDQFTWJUIZ-UHFFFAOYSA-N 0 0 382.399 2.582 50 5 GFBARN NC(=O)c1ccc(CNc2cccc(Cl)c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000032770419 221732299 /nfs/dbraw/zinc/73/22/99/221732299.db2.gz JHKOAQHITBGOFN-UHFFFAOYSA-N 0 0 390.827 2.796 50 5 GFBARN COc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000065858970 222135801 /nfs/dbraw/zinc/13/58/01/222135801.db2.gz ASWBJTJXIYEPJD-UHFFFAOYSA-N 0 0 384.392 2.781 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000065814589 222136015 /nfs/dbraw/zinc/13/60/15/222136015.db2.gz DWVAUSKPKHDRNY-DOOHLRMFSA-N 0 0 378.450 2.649 50 5 GFBARN CCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100627745 222461523 /nfs/dbraw/zinc/46/15/23/222461523.db2.gz XBBBRIKSBSHYDI-CQSZACIVSA-N 0 0 387.443 2.640 50 5 GFBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2Cl)c1=N ZINC000101075375 533935691 /nfs/dbraw/zinc/93/56/91/533935691.db2.gz QLNPNXTVGRKHGB-UHFFFAOYSA-N 0 0 394.818 2.617 50 5 GFBARN O=C(Cn1cnc2ccc(Br)cc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000003124318 551092097 /nfs/dbraw/zinc/09/20/97/551092097.db2.gz IBXGPHLSBNFELX-UHFFFAOYSA-N 0 0 388.177 2.950 50 5 GFBARN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020045110 551114946 /nfs/dbraw/zinc/11/49/46/551114946.db2.gz VXXXBLXBJDCYMF-UHFFFAOYSA-N 0 0 384.223 2.583 50 5 GFBARN O=C(NCCCN1CCOCC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000020472655 551115500 /nfs/dbraw/zinc/11/55/00/551115500.db2.gz HCFCGILXICFWLF-UHFFFAOYSA-N 0 0 383.857 2.915 50 5 GFBARN Cc1nn(CC(=O)NCCc2ccc(F)c(Br)c2)c(C)c1[N+](=O)[O-] ZINC000048375132 570249115 /nfs/dbraw/zinc/24/91/15/570249115.db2.gz RWQJMWFTCFHAEC-UHFFFAOYSA-N 0 0 399.220 2.669 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000048513162 570252569 /nfs/dbraw/zinc/25/25/69/570252569.db2.gz MFRYPJMQRWWSQD-ZROIWOOFSA-N 0 0 384.804 2.927 50 5 GFBARN COc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000024652213 570277381 /nfs/dbraw/zinc/27/73/81/570277381.db2.gz BJNOHZSSPBOKSQ-GFCCVEGCSA-N 0 0 388.376 2.524 50 5 GFBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000043269700 570297511 /nfs/dbraw/zinc/29/75/11/570297511.db2.gz QKXGQBMICNJXBH-UHFFFAOYSA-N 0 0 395.206 2.982 50 5 GFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1nc(-c2ccccc2)no1 ZINC000014228749 570302648 /nfs/dbraw/zinc/30/26/48/570302648.db2.gz BZOACEBJIWSEQT-GFCCVEGCSA-N 0 0 396.359 2.507 50 5 GFBARN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000023750438 570332311 /nfs/dbraw/zinc/33/23/11/570332311.db2.gz UDNBCPYUNMKXJZ-UHFFFAOYSA-N 0 0 381.392 2.673 50 5 GFBARN Cc1csc2nc(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)n12 ZINC000008389237 570377494 /nfs/dbraw/zinc/37/74/94/570377494.db2.gz AWOMJFVLTTVXBL-UHFFFAOYSA-N 0 0 379.781 2.983 50 5 GFBARN Nc1nc(NCc2ccc(Cl)cc2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000005030878 570400713 /nfs/dbraw/zinc/40/07/13/570400713.db2.gz SPIJOQGOMNUEHZ-LBPRGKRZSA-N 0 0 378.820 2.823 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000005077874 570411391 /nfs/dbraw/zinc/41/13/91/570411391.db2.gz QCCAWVKDBMNMRJ-UHFFFAOYSA-N 0 0 377.422 2.541 50 5 GFBARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000006476692 570446929 /nfs/dbraw/zinc/44/69/29/570446929.db2.gz LWVNGCWXNKNBNP-QGZVFWFLSA-N 0 0 391.391 2.817 50 5 GFBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000027021831 570495202 /nfs/dbraw/zinc/49/52/02/570495202.db2.gz HEVACRSCSMPJNB-NJAVVXAXSA-N 0 0 376.397 2.777 50 5 GFBARN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CCOCC1 ZINC000024335962 570511198 /nfs/dbraw/zinc/51/11/98/570511198.db2.gz QOJDPYBHPQOFGI-UHFFFAOYSA-N 0 0 398.463 2.545 50 5 GFBARN COc1cc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c(C)cc1[N+](=O)[O-] ZINC000005326921 570554306 /nfs/dbraw/zinc/55/43/06/570554306.db2.gz BYBYOWQJJOVWNY-UHFFFAOYSA-N 0 0 382.380 2.512 50 5 GFBARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCO)C3=O ZINC000005555858 570633335 /nfs/dbraw/zinc/63/33/35/570633335.db2.gz DMISVWJYILQPDD-SFHVURJKSA-N 0 0 394.383 2.937 50 5 GFBARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000025015166 570665044 /nfs/dbraw/zinc/66/50/44/570665044.db2.gz RWVMIUCLZLMIOA-HXUWFJFHSA-N 0 0 397.387 2.723 50 5 GFBARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036398302 570683317 /nfs/dbraw/zinc/68/33/17/570683317.db2.gz YFTMJCQMCPUERQ-UHFFFAOYSA-N 0 0 379.376 2.959 50 5 GFBARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000025171504 570739691 /nfs/dbraw/zinc/73/96/91/570739691.db2.gz ZMMWTSCRYQZWDJ-UHFFFAOYSA-N 0 0 376.756 2.740 50 5 GFBARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001134458 570756257 /nfs/dbraw/zinc/75/62/57/570756257.db2.gz VCSTWVHUSOEEKW-UHFFFAOYSA-N 0 0 397.387 2.814 50 5 GFBARN COc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000001134008 570756438 /nfs/dbraw/zinc/75/64/38/570756438.db2.gz LUOGEDHUCAGCRK-MRXNPFEDSA-N 0 0 388.420 2.732 50 5 GFBARN CC(C)OP(=O)(OC(C)C)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=N)s1 ZINC000004434175 570770304 /nfs/dbraw/zinc/77/03/04/570770304.db2.gz XFHJNLBQXZWIHV-UHFFFAOYSA-N 0 0 386.370 2.990 50 5 GFBARN C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000032738272 570789927 /nfs/dbraw/zinc/78/99/27/570789927.db2.gz KLNZJXHUHCROCY-CYBMUJFWSA-N 0 0 395.419 2.799 50 5 GFBARN COc1cc(C(=O)OCC(=O)NC2CCCCCCC2)c([N+](=O)[O-])cc1OC ZINC000005943758 570807403 /nfs/dbraw/zinc/80/74/03/570807403.db2.gz DOJWZRCPFQXWGB-UHFFFAOYSA-N 0 0 394.424 2.998 50 5 GFBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004570467 570896019 /nfs/dbraw/zinc/89/60/19/570896019.db2.gz MCSKSZQBDJFCTA-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN CC(C)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 ZINC000014380129 570905092 /nfs/dbraw/zinc/90/50/92/570905092.db2.gz XIGNUYHQUWPWNN-UHFFFAOYSA-N 0 0 391.453 2.734 50 5 GFBARN COCCn1ccc2c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cccc2c1=O ZINC000004584306 570917765 /nfs/dbraw/zinc/91/77/65/570917765.db2.gz MIUSYXKULQYIGK-UHFFFAOYSA-N 0 0 397.387 2.574 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000023143577 570918742 /nfs/dbraw/zinc/91/87/42/570918742.db2.gz KMNQOLJULGSRLT-UHFFFAOYSA-N 0 0 390.339 2.971 50 5 GFBARN Cc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000032930493 570944142 /nfs/dbraw/zinc/94/41/42/570944142.db2.gz SAROPFCBAQRBIZ-TXEJJXNPSA-N 0 0 390.465 2.903 50 5 GFBARN O=C(OCc1cn2cc(Cl)ccc2n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023291629 571049421 /nfs/dbraw/zinc/04/94/21/571049421.db2.gz GMLBKHOQEQVOKJ-UHFFFAOYSA-N 0 0 375.724 2.982 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000096345892 655030656 /nfs/dbraw/zinc/03/06/56/655030656.db2.gz QFBUUQWMKCSOLT-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(-c3cccc(Cl)c3)nn12 ZINC000001871753 212258168 /nfs/dbraw/zinc/25/81/68/212258168.db2.gz QKSWCFVAUHOPGE-ZROIWOOFSA-N 0 0 384.804 2.927 50 5 GFBARN NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000001749987 212256245 /nfs/dbraw/zinc/25/62/45/212256245.db2.gz HOFZVMWPIXVMIC-UHFFFAOYSA-N 0 0 375.406 2.652 50 5 GFBARN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000001140522 212222130 /nfs/dbraw/zinc/22/21/30/212222130.db2.gz PQSFFUGUMSUDIK-UHFFFAOYSA-N 0 0 377.422 2.616 50 5 GFBARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000001121944 212220630 /nfs/dbraw/zinc/22/06/30/212220630.db2.gz KUKFSSQJJIXQOC-HXUWFJFHSA-N 0 0 384.388 2.821 50 5 GFBARN Nn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccs1 ZINC000009393236 212195009 /nfs/dbraw/zinc/19/50/09/212195009.db2.gz ZXGPFDQOERRPHO-UHFFFAOYSA-N 0 0 391.434 2.787 50 5 GFBARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000035681443 212118430 /nfs/dbraw/zinc/11/84/30/212118430.db2.gz DGSHDTUKHPCXON-FLIBITNWSA-N 0 0 385.395 2.912 50 5 GFBARN O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] ZINC000002845590 220573128 /nfs/dbraw/zinc/57/31/28/220573128.db2.gz IPLCVRGWQRQGEK-UHFFFAOYSA-N 0 0 389.367 2.839 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000005939898 220909439 /nfs/dbraw/zinc/90/94/39/220909439.db2.gz LZOQSAURRWRIGP-UHFFFAOYSA-N 0 0 387.461 2.942 50 5 GFBARN COc1ccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000008092957 221026121 /nfs/dbraw/zinc/02/61/21/221026121.db2.gz CKGBCLPNHWJXQE-UHFFFAOYSA-N 0 0 387.392 2.540 50 5 GFBARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O ZINC000008644226 221048503 /nfs/dbraw/zinc/04/85/03/221048503.db2.gz URPFVLJPHZVKKS-HXUWFJFHSA-N 0 0 396.403 2.699 50 5 GFBARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000008992227 221067814 /nfs/dbraw/zinc/06/78/14/221067814.db2.gz JNSGFCKAVCHKEU-UHFFFAOYSA-N 0 0 392.799 2.762 50 5 GFBARN CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3C)cc2[N+](=O)[O-])CC1 ZINC000012523324 221201462 /nfs/dbraw/zinc/20/14/62/221201462.db2.gz FVJUICUGJWHXJL-UHFFFAOYSA-N 0 0 396.447 2.502 50 5 GFBARN COc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c([N+](=O)[O-])c1 ZINC000012536344 221203746 /nfs/dbraw/zinc/20/37/46/221203746.db2.gz XRZDQAAWHSYFCS-UHFFFAOYSA-N 0 0 379.394 2.575 50 5 GFBARN COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012905387 221243805 /nfs/dbraw/zinc/24/38/05/221243805.db2.gz MDSWBNSOUKYZGZ-SFHVURJKSA-N 0 0 399.447 2.715 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)c1C ZINC000012942540 221249403 /nfs/dbraw/zinc/24/94/03/221249403.db2.gz HKOWHWHUPOKXLC-HNNXBMFYSA-N 0 0 392.433 2.672 50 5 GFBARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 ZINC000013610333 221276858 /nfs/dbraw/zinc/27/68/58/221276858.db2.gz VQBJBUDGLCLKDU-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnnn1C1CCCC1 ZINC000014245442 221306758 /nfs/dbraw/zinc/30/67/58/221306758.db2.gz WFZGGOOXEYTZQU-SNVBAGLBSA-N 0 0 392.441 2.824 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(Nc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000015113520 221333904 /nfs/dbraw/zinc/33/39/04/221333904.db2.gz NLVGQTSMUFBKME-UHFFFAOYSA-N 0 0 381.458 2.719 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc([N+](=O)[O-])c1 ZINC000016015600 221355192 /nfs/dbraw/zinc/35/51/92/221355192.db2.gz HZQFMFNCGFNCIE-UHFFFAOYSA-N 0 0 383.360 2.526 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000016753271 221370558 /nfs/dbraw/zinc/37/05/58/221370558.db2.gz SFBRJKMXZXGOGJ-CQSZACIVSA-N 0 0 392.408 2.563 50 5 GFBARN O=c1ccc(-c2ccccc2)nn1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000048365716 132433351 /nfs/dbraw/zinc/43/33/51/132433351.db2.gz VGCOKIMXCBLUGL-UHFFFAOYSA-N 0 0 391.431 2.598 50 5 GFBARN Cc1cccc(NC(=O)CSc2nc3ccccc3c3nc(=O)c(C)nn23)c1 ZINC000058159430 222041982 /nfs/dbraw/zinc/04/19/82/222041982.db2.gz KHSUVHMDJMCKRO-UHFFFAOYSA-N 0 0 391.456 2.985 50 5 GFBARN CN(c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1F)C1CCCCC1 ZINC000058265145 222046823 /nfs/dbraw/zinc/04/68/23/222046823.db2.gz JALJRJLNHFGETC-UHFFFAOYSA-N 0 0 376.392 2.733 50 5 GFBARN Cc1ccc(NC(=O)CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000058439295 222054284 /nfs/dbraw/zinc/05/42/84/222054284.db2.gz UBDDMCWILCGZOY-OAHLLOKOSA-N 0 0 390.484 2.714 50 5 GFBARN Cc1ccc(NC(=O)CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000058439294 222054371 /nfs/dbraw/zinc/05/43/71/222054371.db2.gz UBDDMCWILCGZOY-HNNXBMFYSA-N 0 0 390.484 2.714 50 5 GFBARN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000065513534 222133812 /nfs/dbraw/zinc/13/38/12/222133812.db2.gz QLCFUUUCDGKXNZ-LRDDRELGSA-N 0 0 376.363 2.726 50 5 GFBARN Cc1cccc(OC2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000096008928 222370959 /nfs/dbraw/zinc/37/09/59/222370959.db2.gz BYOWUWHYSGEZRB-UHFFFAOYSA-N 0 0 391.449 2.839 50 5 GFBARN Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C(C)C)c(=O)n2c1 ZINC000100630689 222460521 /nfs/dbraw/zinc/46/05/21/222460521.db2.gz QDIKNOUQPAJSAF-UHFFFAOYSA-N 0 0 379.464 2.690 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000095444766 526333557 /nfs/dbraw/zinc/33/35/57/526333557.db2.gz OUYTVOCABMGNMY-GOEBONIOSA-N 0 0 383.470 2.651 50 5 GFBARN CC[C@H](C)NC(=O)CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000225650375 553059687 /nfs/dbraw/zinc/05/96/87/553059687.db2.gz GSFWHWSFPRWQCI-NSHDSACASA-N 0 0 389.283 2.938 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000048313277 570236855 /nfs/dbraw/zinc/23/68/55/570236855.db2.gz PUIGBNXERUCJMD-LBPRGKRZSA-N 0 0 377.422 2.913 50 5 GFBARN O=c1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccc(Cl)cn12 ZINC000048374564 570249481 /nfs/dbraw/zinc/24/94/81/570249481.db2.gz ZVLXFYSEKKPEII-UHFFFAOYSA-N 0 0 399.838 2.578 50 5 GFBARN C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)n1cncn1 ZINC000024706352 570279646 /nfs/dbraw/zinc/27/96/46/570279646.db2.gz QOGKKDHXLWZXRG-GFCCVEGCSA-N 0 0 380.364 2.638 50 5 GFBARN COc1ccc(OC)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000021696211 570305971 /nfs/dbraw/zinc/30/59/71/570305971.db2.gz GAMPKRXXHKQFTA-UHFFFAOYSA-N 0 0 378.312 2.547 50 5 GFBARN COc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000024865915 570318960 /nfs/dbraw/zinc/31/89/60/570318960.db2.gz CBYKVQKYINNZNR-UHFFFAOYSA-N 0 0 383.404 2.768 50 5 GFBARN O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004926600 570370957 /nfs/dbraw/zinc/37/09/57/570370957.db2.gz OALYEOORIBMCDP-UHFFFAOYSA-N 0 0 392.751 2.815 50 5 GFBARN O=C(c1ccco1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004998195 570391241 /nfs/dbraw/zinc/39/12/41/570391241.db2.gz UIGIYLHGSWYQEF-UHFFFAOYSA-N 0 0 388.399 2.890 50 5 GFBARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006476727 570446919 /nfs/dbraw/zinc/44/69/19/570446919.db2.gz HNLSAVXZVOBZGU-KRWDZBQOSA-N 0 0 391.391 2.817 50 5 GFBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(F)c1 ZINC000006587746 570484751 /nfs/dbraw/zinc/48/47/51/570484751.db2.gz FXMGLMXQIYATGJ-UHFFFAOYSA-N 0 0 395.412 2.807 50 5 GFBARN COc1ccc(OC)c(Nc2nc(N3CCC[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000005215223 570512517 /nfs/dbraw/zinc/51/25/17/570512517.db2.gz DFBGQGAYWARNTB-NSHDSACASA-N 0 0 388.428 2.964 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270702 570546659 /nfs/dbraw/zinc/54/66/59/570546659.db2.gz DINKHPMDSJXSAV-UHFFFAOYSA-N 0 0 394.343 2.965 50 5 GFBARN O=C(NC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681930 570602458 /nfs/dbraw/zinc/60/24/58/570602458.db2.gz SRMRJLBXLHKMRU-CTNGQTDRSA-N 0 0 392.459 2.741 50 5 GFBARN Cc1cc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000006841418 570643186 /nfs/dbraw/zinc/64/31/86/570643186.db2.gz JUEGHMFHIPWPQM-SFHVURJKSA-N 0 0 384.388 2.660 50 5 GFBARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000025015163 570665148 /nfs/dbraw/zinc/66/51/48/570665148.db2.gz RWVMIUCLZLMIOA-FQEVSTJZSA-N 0 0 397.387 2.723 50 5 GFBARN CCOC(=O)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004622503 570678897 /nfs/dbraw/zinc/67/88/97/570678897.db2.gz KQLOLXZEZBKSHQ-CYBMUJFWSA-N 0 0 396.419 2.603 50 5 GFBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F ZINC000004561432 570885874 /nfs/dbraw/zinc/88/58/74/570885874.db2.gz SNQAKAAOOHBMCV-UHFFFAOYSA-N 0 0 388.424 2.571 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000004748886 570954936 /nfs/dbraw/zinc/95/49/36/570954936.db2.gz VTBBPHBLRQUXGT-UHFFFAOYSA-N 0 0 395.868 2.900 50 5 GFBARN CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1C ZINC000252624468 571037874 /nfs/dbraw/zinc/03/78/74/571037874.db2.gz POLLWOGOMWINIK-WTGUMLROSA-N 0 0 398.415 2.763 50 5 GFBARN NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 ZINC000002997648 654439369 /nfs/dbraw/zinc/43/93/69/654439369.db2.gz LQSWZOSRXVQDGL-ZSOIEALJSA-N 0 0 390.193 2.614 50 5 GFBARN Cc1sc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000040107020 654620597 /nfs/dbraw/zinc/62/05/97/654620597.db2.gz XIBAHECOHOGVOR-VIFPVBQESA-N 0 0 383.451 2.827 50 5 GFBARN Cc1cc(F)c(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000252494957 231042025 /nfs/dbraw/zinc/04/20/25/231042025.db2.gz OJBWEYHPJCGPJI-OAHLLOKOSA-N 0 0 390.371 2.948 50 5 GFBARN Cc1c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001848886 212258513 /nfs/dbraw/zinc/25/85/13/212258513.db2.gz QTCFWNCEMCPIFT-UHFFFAOYSA-N 0 0 389.276 2.759 50 5 GFBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000002028569 212261035 /nfs/dbraw/zinc/26/10/35/212261035.db2.gz UNSDTUHWPHBKMO-UHFFFAOYSA-N 0 0 397.347 2.553 50 5 GFBARN Cn1c2ccccc2c2c(c1=O)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)O2 ZINC000001427899 212243783 /nfs/dbraw/zinc/24/37/83/212243783.db2.gz XVZNZOSYGZCQCY-LBPRGKRZSA-N 0 0 394.339 2.616 50 5 GFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 ZINC000001392142 212240900 /nfs/dbraw/zinc/24/09/00/212240900.db2.gz OTEHUHFNVVBGEZ-RHSMWYFYSA-N 0 0 385.474 2.636 50 5 GFBARN CCOc1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000943319 212196794 /nfs/dbraw/zinc/19/67/94/212196794.db2.gz BBGAOYMWCMOOMB-UHFFFAOYSA-N 0 0 383.360 2.618 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000009443580 212189606 /nfs/dbraw/zinc/18/96/06/212189606.db2.gz VVXFMGKUGYPKCN-MRXNPFEDSA-N 0 0 397.347 2.770 50 5 GFBARN CCOc1c2oc(C(=O)N3CCOCC3)c(C)c2cc([N+](=O)[O-])c1OCC ZINC000000754142 212179435 /nfs/dbraw/zinc/17/94/35/212179435.db2.gz WDHVOCMAKMILAZ-UHFFFAOYSA-N 0 0 378.381 2.919 50 5 GFBARN CCOc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497281 220721381 /nfs/dbraw/zinc/72/13/81/220721381.db2.gz LIRNDHAFGRTVHK-FJCDDACJSA-N 0 0 395.415 2.928 50 5 GFBARN O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccco1 ZINC000004834757 220771720 /nfs/dbraw/zinc/77/17/20/220771720.db2.gz RZFABKMBMDAVGA-UHFFFAOYSA-N 0 0 394.840 2.678 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000006314248 220928943 /nfs/dbraw/zinc/92/89/43/220928943.db2.gz NNNWSUFFUDWOEG-UHFFFAOYSA-N 0 0 386.389 2.571 50 5 GFBARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000007871567 221014848 /nfs/dbraw/zinc/01/48/48/221014848.db2.gz FGGDWJKSCKJNPT-UHFFFAOYSA-N 0 0 376.800 2.502 50 5 GFBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)C1 ZINC000008055867 221024739 /nfs/dbraw/zinc/02/47/39/221024739.db2.gz BOSADZCWSQSUPB-KFWWJZLASA-N 0 0 397.497 2.852 50 5 GFBARN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007912751 221015976 /nfs/dbraw/zinc/01/59/76/221015976.db2.gz ZDGPPECUHBGJEV-VIFPVBQESA-N 0 0 391.767 2.734 50 5 GFBARN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)N1CCc2ccccc21 ZINC000008408536 221041134 /nfs/dbraw/zinc/04/11/34/221041134.db2.gz APNJTJINYMGACK-GFCCVEGCSA-N 0 0 398.371 2.501 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc([N+](=O)[O-])c1 ZINC000008768539 221057355 /nfs/dbraw/zinc/05/73/55/221057355.db2.gz MKDSKNKMBIJXES-UHFFFAOYSA-N 0 0 375.293 2.551 50 5 GFBARN Cc1ccc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000010298722 221100677 /nfs/dbraw/zinc/10/06/77/221100677.db2.gz IVNDHCNFVXGLBU-UHFFFAOYSA-N 0 0 398.444 2.901 50 5 GFBARN O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000010297656 221100574 /nfs/dbraw/zinc/10/05/74/221100574.db2.gz DZCUHGCDKCKPKJ-AWEZNQCLSA-N 0 0 394.376 2.500 50 5 GFBARN CNS(=O)(=O)c1ccc(Nc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000012528028 221202578 /nfs/dbraw/zinc/20/25/78/221202578.db2.gz DOEJRIQFHJAIFO-UHFFFAOYSA-N 0 0 390.421 2.595 50 5 GFBARN CS(=O)(=O)c1ccc(F)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000012527069 221202893 /nfs/dbraw/zinc/20/28/93/221202893.db2.gz IVPJJQDEPLNMMP-UHFFFAOYSA-N 0 0 381.385 2.578 50 5 GFBARN C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000012526575 221203047 /nfs/dbraw/zinc/20/30/47/221203047.db2.gz XTEIRZSFWMZJCR-CQSZACIVSA-N 0 0 386.427 2.977 50 5 GFBARN CN(C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012872746 221240121 /nfs/dbraw/zinc/24/01/21/221240121.db2.gz KSYZSIXRWYSQII-UHFFFAOYSA-N 0 0 396.447 2.908 50 5 GFBARN CC(=O)N1c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2C[C@@H]1C ZINC000012968152 221250531 /nfs/dbraw/zinc/25/05/31/221250531.db2.gz ZARODNMPWHDIPQ-NSHDSACASA-N 0 0 376.390 2.660 50 5 GFBARN COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1OC ZINC000012919321 221245752 /nfs/dbraw/zinc/24/57/52/221245752.db2.gz GWWKFLCALHJRFX-CYBMUJFWSA-N 0 0 399.403 2.912 50 5 GFBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000015209518 221333505 /nfs/dbraw/zinc/33/35/05/221333505.db2.gz NSWLAKLGGPIPLT-ZDUSSCGKSA-N 0 0 379.438 2.603 50 5 GFBARN Cc1ccc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2c1 ZINC000016654277 221368299 /nfs/dbraw/zinc/36/82/99/221368299.db2.gz ZYMCZUGJWLPDSX-UHFFFAOYSA-N 0 0 396.403 2.745 50 5 GFBARN Cc1ccc(C(=O)C[C@@H](NN2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019169085 221399205 /nfs/dbraw/zinc/39/92/05/221399205.db2.gz JRVAZWDOLFNSOJ-HXUWFJFHSA-N 0 0 382.464 2.969 50 5 GFBARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018244189 221391856 /nfs/dbraw/zinc/39/18/56/221391856.db2.gz ALUKWSDTDKYMLG-CHWSQXEVSA-N 0 0 391.811 2.918 50 5 GFBARN COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004902991 136194324 /nfs/dbraw/zinc/19/43/24/136194324.db2.gz ANNXPMOAWWJVKO-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN COc1cccc(N2C[C@@H](C(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2=O)c1 ZINC000032760648 221732320 /nfs/dbraw/zinc/73/23/20/221732320.db2.gz CJWXIFILONWWLM-AWEZNQCLSA-N 0 0 381.388 2.546 50 5 GFBARN Cc1cc(C(=O)NCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000056056820 222023775 /nfs/dbraw/zinc/02/37/75/222023775.db2.gz OASVQGVQKVDBAB-UHFFFAOYSA-N 0 0 379.800 2.846 50 5 GFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058005673 222038104 /nfs/dbraw/zinc/03/81/04/222038104.db2.gz JAIVCKDTMXBSKM-UHFFFAOYSA-N 0 0 396.363 2.531 50 5 GFBARN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000065513536 222133275 /nfs/dbraw/zinc/13/32/75/222133275.db2.gz QLCFUUUCDGKXNZ-MLGOLLRUSA-N 0 0 376.363 2.726 50 5 GFBARN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068365670 222171961 /nfs/dbraw/zinc/17/19/61/222171961.db2.gz BSKKZHXAVCQDDH-KXPUMZMLSA-N 0 0 377.466 2.672 50 5 GFBARN O=C(CS(=O)(=O)CCCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000071847874 222199774 /nfs/dbraw/zinc/19/97/74/222199774.db2.gz XWKJUHZFCGVYNX-UHFFFAOYSA-N 0 0 377.418 2.686 50 5 GFBARN CCc1ccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1[N+](=O)[O-] ZINC000089286489 222326427 /nfs/dbraw/zinc/32/64/27/222326427.db2.gz HEOHJXNPBGWNKF-SFHVURJKSA-N 0 0 393.403 2.990 50 5 GFBARN CC(=O)N1CCc2cc(NC(=O)CN3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)ccc21 ZINC000089941415 526673200 /nfs/dbraw/zinc/67/32/00/526673200.db2.gz AAQMAHVAJQYSIN-ZDUSSCGKSA-N 0 0 394.431 2.894 50 5 GFBARN C[C@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005126464 551096501 /nfs/dbraw/zinc/09/65/01/551096501.db2.gz IMHYJWQKPAXSMN-ZETCQYMHSA-N 0 0 375.332 2.861 50 5 GFBARN Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000005636787 551098190 /nfs/dbraw/zinc/09/81/90/551098190.db2.gz WSTRIFDCSSAKKT-UHFFFAOYSA-N 0 0 379.345 2.778 50 5 GFBARN COCCn1c(=O)c2c(nc1-c1cccs1)oc1cc(OC)ccc1c2=O ZINC000002205835 570278761 /nfs/dbraw/zinc/27/87/61/570278761.db2.gz YABVXJWICZGDOD-UHFFFAOYSA-N 0 0 384.413 2.886 50 5 GFBARN O=C(OCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000004893714 570358054 /nfs/dbraw/zinc/35/80/54/570358054.db2.gz VDHDBDWMDKUSTF-UHFFFAOYSA-N 0 0 380.784 2.888 50 5 GFBARN Cc1cc(NC(=O)[C@H](C)SCC(=O)OCc2ccc([N+](=O)[O-])cc2)no1 ZINC000006363229 570401554 /nfs/dbraw/zinc/40/15/54/570401554.db2.gz CHYLUJKDEVXEPC-NSHDSACASA-N 0 0 379.394 2.695 50 5 GFBARN COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000005120286 570420515 /nfs/dbraw/zinc/42/05/15/570420515.db2.gz OUSRWUDWRXOBBX-UHFFFAOYSA-N 0 0 380.422 2.741 50 5 GFBARN CCOC(=O)C(=CNc1ccc(OC)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005128782 570422275 /nfs/dbraw/zinc/42/22/75/570422275.db2.gz RTUDSADKQVVHGR-ATVHPVEESA-N 0 0 385.376 2.850 50 5 GFBARN COc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000005207275 570506531 /nfs/dbraw/zinc/50/65/31/570506531.db2.gz CPFBJBKONWFSMM-UHFFFAOYSA-N 0 0 392.433 2.967 50 5 GFBARN CCCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@@H]1CC ZINC000005423055 570589716 /nfs/dbraw/zinc/58/97/16/570589716.db2.gz RQEGWVQYAFMKLU-HNNXBMFYSA-N 0 0 376.409 2.968 50 5 GFBARN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)OCO4)SC2)cc1 ZINC000004598338 570630060 /nfs/dbraw/zinc/63/00/60/570630060.db2.gz YIUKECDULGRYNA-UHFFFAOYSA-N 0 0 381.373 2.940 50 5 GFBARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006874819 570665768 /nfs/dbraw/zinc/66/57/68/570665768.db2.gz XMWFLBORDWFXCS-UHFFFAOYSA-N 0 0 394.790 2.896 50 5 GFBARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000229968558 570667906 /nfs/dbraw/zinc/66/79/06/570667906.db2.gz GTFRELCRDZVNGO-ARFHVFGLSA-N 0 0 387.779 2.725 50 5 GFBARN CCCCn1c(=N)c(C(=O)N2CCCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100895233 570779500 /nfs/dbraw/zinc/77/95/00/570779500.db2.gz IMAOBUDQBCCGSJ-UHFFFAOYSA-N 0 0 393.491 2.863 50 5 GFBARN CCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(OC)nn1 ZINC000032796880 570819061 /nfs/dbraw/zinc/81/90/61/570819061.db2.gz QNJKTBPKZRDQCI-UHFFFAOYSA-N 0 0 382.380 2.702 50 5 GFBARN COC(=O)[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(O)c1 ZINC000170598082 570856573 /nfs/dbraw/zinc/85/65/73/570856573.db2.gz OXWAOELBLGIIJS-INIZCTEOSA-N 0 0 380.784 2.966 50 5 GFBARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000023077724 570901072 /nfs/dbraw/zinc/90/10/72/570901072.db2.gz LCEUQOFLZPZXBI-QGZVFWFLSA-N 0 0 390.827 2.680 50 5 GFBARN COCCn1ccc2c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cccc2c1=O ZINC000004584305 570917690 /nfs/dbraw/zinc/91/76/90/570917690.db2.gz OLEGYDMCKBFWSQ-UHFFFAOYSA-N 0 0 397.387 2.574 50 5 GFBARN CO[C@]1(C)C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C ZINC000170646214 570983271 /nfs/dbraw/zinc/98/32/71/570983271.db2.gz IUJNQMFUPPEYIB-FXAWDEMLSA-N 0 0 391.468 2.707 50 5 GFBARN CC(=O)c1ccc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000045802391 570997297 /nfs/dbraw/zinc/99/72/97/570997297.db2.gz VMLBWYLLQLPMFP-OAHLLOKOSA-N 0 0 386.330 2.783 50 5 GFBARN CSCC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O ZINC000002064436 212263062 /nfs/dbraw/zinc/26/30/62/212263062.db2.gz OWULITKETLYWHB-INIZCTEOSA-N 0 0 399.428 2.951 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1F ZINC000001429868 212245114 /nfs/dbraw/zinc/24/51/14/212245114.db2.gz CVEQIPOETASWRV-UHFFFAOYSA-N 0 0 375.129 2.779 50 5 GFBARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000001439735 212244547 /nfs/dbraw/zinc/24/45/47/212244547.db2.gz NMSKHGOGNAJRIG-GOSISDBHSA-N 0 0 389.371 2.901 50 5 GFBARN O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000001141138 212221477 /nfs/dbraw/zinc/22/14/77/212221477.db2.gz GNCMUAIIAQFMMG-UHFFFAOYSA-N 0 0 389.795 2.973 50 5 GFBARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001128029 212221068 /nfs/dbraw/zinc/22/10/68/212221068.db2.gz XVDODLSHPOWJSX-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN CCOc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OCC ZINC000001074865 212213484 /nfs/dbraw/zinc/21/34/84/212213484.db2.gz ZICZTLFBKFRORI-RISCZKNCSA-N 0 0 387.230 2.843 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000000951459 212199637 /nfs/dbraw/zinc/19/96/37/212199637.db2.gz YMCBMALFAPOVET-KRWDZBQOSA-N 0 0 397.387 2.863 50 5 GFBARN Cc1ccc(-n2nnnc2CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000009570315 212198072 /nfs/dbraw/zinc/19/80/72/212198072.db2.gz MARRQVNDRGPKSN-UHFFFAOYSA-N 0 0 386.799 2.771 50 5 GFBARN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000000878041 212192749 /nfs/dbraw/zinc/19/27/49/212192749.db2.gz FLQKQLBEANSLQO-UHFFFAOYSA-N 0 0 381.211 2.879 50 5 GFBARN COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000000856516 212190065 /nfs/dbraw/zinc/19/00/65/212190065.db2.gz ZJSWKKNLPJLVFH-UHFFFAOYSA-N 0 0 376.390 2.949 50 5 GFBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003240985 220613552 /nfs/dbraw/zinc/61/35/52/220613552.db2.gz IKWGLNLTJPQOKD-UHFFFAOYSA-N 0 0 398.400 2.914 50 5 GFBARN C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006183674 220922304 /nfs/dbraw/zinc/92/23/04/220922304.db2.gz NJILHMXJBQFYKZ-WMLDXEAASA-N 0 0 395.481 2.539 50 5 GFBARN Nc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc(-c2ccncc2)n1 ZINC000009254168 221075648 /nfs/dbraw/zinc/07/56/48/221075648.db2.gz VJWCJISXTRROAV-UHFFFAOYSA-N 0 0 398.404 2.583 50 5 GFBARN Cc1noc(/C=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000009295470 221076616 /nfs/dbraw/zinc/07/66/16/221076616.db2.gz XSKTVLDZNXICAN-FSNWXROXSA-N 0 0 387.392 2.736 50 5 GFBARN CC1CCN(c2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc2[N+](=O)[O-])CC1 ZINC000012523319 221201321 /nfs/dbraw/zinc/20/13/21/221201321.db2.gz BYCQXLZAFPTFSW-UHFFFAOYSA-N 0 0 389.437 2.639 50 5 GFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000012554176 221205456 /nfs/dbraw/zinc/20/54/56/221205456.db2.gz LCGPKBWHVUTKLU-UHFFFAOYSA-N 0 0 398.463 2.810 50 5 GFBARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000012554573 221205680 /nfs/dbraw/zinc/20/56/80/221205680.db2.gz PWOHNPHHWOIIEX-OAHLLOKOSA-N 0 0 398.463 2.846 50 5 GFBARN COc1ccccc1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccn1C ZINC000012628267 221215649 /nfs/dbraw/zinc/21/56/49/221215649.db2.gz CSUKWTTZWVTLHK-KRWDZBQOSA-N 0 0 381.392 2.637 50 5 GFBARN CCOC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1 ZINC000013133331 221261262 /nfs/dbraw/zinc/26/12/62/221261262.db2.gz UQWRSLMQKWKVDL-MSUUIHNZSA-N 0 0 391.430 2.977 50 5 GFBARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000013610275 221276916 /nfs/dbraw/zinc/27/69/16/221276916.db2.gz GIUZMZHRNFIDLY-UHFFFAOYSA-N 0 0 375.406 2.559 50 5 GFBARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1 ZINC000018006652 221386472 /nfs/dbraw/zinc/38/64/72/221386472.db2.gz BECOCHNEQLPYMI-UHFFFAOYSA-N 0 0 392.437 2.678 50 5 GFBARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn2ncnc12 ZINC000019118217 221398241 /nfs/dbraw/zinc/39/82/41/221398241.db2.gz NHPXLKLZFSIRFD-UHFFFAOYSA-N 0 0 396.476 2.575 50 5 GFBARN COCC(=O)N1CCCCC[C@@H]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000069925138 136165221 /nfs/dbraw/zinc/16/52/21/136165221.db2.gz QUWBIUFCFMYCPY-MRXNPFEDSA-N 0 0 376.457 2.624 50 5 GFBARN CN1C[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 ZINC000170602410 136198803 /nfs/dbraw/zinc/19/88/03/136198803.db2.gz FEDOBGULXAKTLO-HNNXBMFYSA-N 0 0 378.432 2.974 50 5 GFBARN COc1ccc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000027519232 221653684 /nfs/dbraw/zinc/65/36/84/221653684.db2.gz MISOVOHHLXDSMB-JYRVWZFOSA-N 0 0 384.344 2.965 50 5 GFBARN CN(CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccco1)C(=O)C1CC1 ZINC000035945931 221835313 /nfs/dbraw/zinc/83/53/13/221835313.db2.gz XPJUMTFIMSZZTE-KRWDZBQOSA-N 0 0 396.403 2.734 50 5 GFBARN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000052510607 222006676 /nfs/dbraw/zinc/00/66/76/222006676.db2.gz LXZJTOKCVDZKFP-OAHLLOKOSA-N 0 0 379.413 2.984 50 5 GFBARN Cc1nn(C)c(NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000072289228 222220078 /nfs/dbraw/zinc/22/00/78/222220078.db2.gz OGOVYHJEFHIJTQ-VXGBXAGGSA-N 0 0 383.449 2.809 50 5 GFBARN Cc1noc(C)c1CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000024658941 534352654 /nfs/dbraw/zinc/35/26/54/534352654.db2.gz NWKUZGULNOZSLC-UHFFFAOYSA-N 0 0 394.453 2.621 50 5 GFBARN CC(C)(C)OC(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000081936778 534837896 /nfs/dbraw/zinc/83/78/96/534837896.db2.gz DJHNIZVQJYVQNH-UHFFFAOYSA-N 0 0 387.234 2.809 50 5 GFBARN O=C(COC(=O)Cc1cccs1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003434952 551093474 /nfs/dbraw/zinc/09/34/74/551093474.db2.gz JNDLTZIVMSLZKD-UHFFFAOYSA-N 0 0 377.403 2.990 50 5 GFBARN Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c([N+](=O)[O-])c1 ZINC000006111396 570247198 /nfs/dbraw/zinc/24/71/98/570247198.db2.gz JXCPNCKOUNPQPR-UHFFFAOYSA-N 0 0 384.417 2.802 50 5 GFBARN CC[C@@H](C)n1c(=N)c(C(=O)NCc2ccco2)cc2c1nc1ccccn1c2=O ZINC000100628113 570271986 /nfs/dbraw/zinc/27/19/86/570271986.db2.gz AEMJXYGRVGVPFK-CYBMUJFWSA-N 0 0 391.431 2.623 50 5 GFBARN CC(=O)N(C(C)=O)n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000004832989 570305872 /nfs/dbraw/zinc/30/58/72/570305872.db2.gz ZUEIMSNCSWEZKT-FMIVXFBMSA-N 0 0 392.371 2.506 50 5 GFBARN CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004901497 570360267 /nfs/dbraw/zinc/36/02/67/570360267.db2.gz HJIIXJYJOKTJFU-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-n2cncn2)nc1 ZINC000024749605 570391280 /nfs/dbraw/zinc/39/12/80/570391280.db2.gz HAIRXJNRDMHXMH-UHFFFAOYSA-N 0 0 396.410 2.769 50 5 GFBARN CCOc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005029256 570400970 /nfs/dbraw/zinc/40/09/70/570400970.db2.gz HIFNGVPGJMQERT-RYUDHWBXSA-N 0 0 388.428 2.723 50 5 GFBARN COc1ccc(CCNc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000006509427 570461471 /nfs/dbraw/zinc/46/14/71/570461471.db2.gz ZYDDDQHGTQOAKC-UHFFFAOYSA-N 0 0 393.465 2.945 50 5 GFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1OC(F)F ZINC000006579019 570481376 /nfs/dbraw/zinc/48/13/76/570481376.db2.gz DLQYUQRMQHNTDW-UHFFFAOYSA-N 0 0 379.319 2.955 50 5 GFBARN CC[C@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004619180 570666860 /nfs/dbraw/zinc/66/68/60/570666860.db2.gz FLZRGJIHBWOLQC-INIZCTEOSA-N 0 0 385.376 2.921 50 5 GFBARN CN(CC(=O)OCc1cc(=O)oc2ccc3ccccc3c12)c1cnccn1 ZINC000046324401 570670433 /nfs/dbraw/zinc/67/04/33/570670433.db2.gz XFHLWPJFOPKKQM-UHFFFAOYSA-N 0 0 375.384 2.916 50 5 GFBARN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000000881994 570700606 /nfs/dbraw/zinc/70/06/06/570700606.db2.gz PPJRULYGGLGHRP-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN Cc1c(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000006988776 570729840 /nfs/dbraw/zinc/72/98/40/570729840.db2.gz LJAVNMDECYWTAS-GOSISDBHSA-N 0 0 384.388 2.660 50 5 GFBARN O=C(NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000025213101 570741257 /nfs/dbraw/zinc/74/12/57/570741257.db2.gz AYYUDUHEFCUUNW-UHFFFAOYSA-N 0 0 385.395 2.697 50 5 GFBARN CCOc1ccc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000025386870 570749357 /nfs/dbraw/zinc/74/93/57/570749357.db2.gz FZUJXSIVWLZYFT-UHFFFAOYSA-N 0 0 398.415 2.998 50 5 GFBARN COc1ccc(OC[C@H](O)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004681086 570828613 /nfs/dbraw/zinc/82/86/13/570828613.db2.gz WCMAWJWHFUFVSK-CYBMUJFWSA-N 0 0 394.811 2.769 50 5 GFBARN CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1 ZINC000004705152 570842854 /nfs/dbraw/zinc/84/28/54/570842854.db2.gz KEUGXSRWGQAQFK-UHFFFAOYSA-N 0 0 399.403 2.860 50 5 GFBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000004703878 570842876 /nfs/dbraw/zinc/84/28/76/570842876.db2.gz ZKDWJLGSYKOOJD-UHFFFAOYSA-N 0 0 388.424 2.571 50 5 GFBARN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000032860180 570860667 /nfs/dbraw/zinc/86/06/67/570860667.db2.gz ZTIDXRRYTISXNF-YOEHRIQHSA-N 0 0 380.360 2.791 50 5 GFBARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000004554697 570881189 /nfs/dbraw/zinc/88/11/89/570881189.db2.gz UMUQVSUGGSLWNI-HXUWFJFHSA-N 0 0 384.388 2.819 50 5 GFBARN CCCc1sc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1CC ZINC000089960421 570921508 /nfs/dbraw/zinc/92/15/08/570921508.db2.gz LOCXJTGBUBZXIY-MAUKXSAKSA-N 0 0 392.477 2.996 50 5 GFBARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002092028 570939676 /nfs/dbraw/zinc/93/96/76/570939676.db2.gz URKJZVFGVNLMHC-MRXNPFEDSA-N 0 0 391.380 2.637 50 5 GFBARN Cc1nn(C)c(N2CCN(C(=O)c3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000047331255 570953498 /nfs/dbraw/zinc/95/34/98/570953498.db2.gz CNHPGHRXIBQYSL-UHFFFAOYSA-N 0 0 379.420 2.752 50 5 GFBARN CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CCO1 ZINC000037477373 571016281 /nfs/dbraw/zinc/01/62/81/571016281.db2.gz OFKGHLMWYMYOCU-GJZGRUSLSA-N 0 0 397.497 2.631 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCCC2 ZINC000000672983 212171985 /nfs/dbraw/zinc/17/19/85/212171985.db2.gz AWRKPXGZZFTRNK-UHFFFAOYSA-N 0 0 392.437 2.937 50 5 GFBARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000001439732 212245283 /nfs/dbraw/zinc/24/52/83/212245283.db2.gz KYQKPQDQMLBKQB-SFHVURJKSA-N 0 0 389.371 2.901 50 5 GFBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCCC1 ZINC000001113212 212217362 /nfs/dbraw/zinc/21/73/62/212217362.db2.gz QSSDRHLLSIWOGK-UHFFFAOYSA-N 0 0 378.388 2.594 50 5 GFBARN Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001110964 212218043 /nfs/dbraw/zinc/21/80/43/212218043.db2.gz LFSDYHGIIDUMQE-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN O=C(NCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 ZINC000000862657 212190131 /nfs/dbraw/zinc/19/01/31/212190131.db2.gz KYSCXTOUWVLXCF-WJDWOHSUSA-N 0 0 381.344 2.868 50 5 GFBARN O=C(c1ccncc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000677139 212173136 /nfs/dbraw/zinc/17/31/36/212173136.db2.gz PWZHPWZLBCFGLJ-OAHLLOKOSA-N 0 0 380.282 2.599 50 5 GFBARN CCn1cc([C@@H](C)NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(C)n1 ZINC000000653248 212169812 /nfs/dbraw/zinc/16/98/12/212169812.db2.gz JBNWYROHIUGMFL-CYBMUJFWSA-N 0 0 382.424 2.855 50 5 GFBARN COc1ccc(OCCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000003240348 220613406 /nfs/dbraw/zinc/61/34/06/220613406.db2.gz ZTMIPEICIPARGJ-UHFFFAOYSA-N 0 0 392.339 2.693 50 5 GFBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000004120553 220684034 /nfs/dbraw/zinc/68/40/34/220684034.db2.gz XUJVBDBFKPXLHV-UHFFFAOYSA-N 0 0 382.420 2.906 50 5 GFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000004498947 220722422 /nfs/dbraw/zinc/72/24/22/220722422.db2.gz WDEBQHONCOROAH-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN Cc1ccc(NC(=O)[C@H](Sc2nnnn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004807443 220767591 /nfs/dbraw/zinc/76/75/91/220767591.db2.gz IPMOXDOVIKBSHS-OAHLLOKOSA-N 0 0 384.421 2.899 50 5 GFBARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004835434 220772046 /nfs/dbraw/zinc/77/20/46/220772046.db2.gz NRTRXJUJUGARHJ-CQSZACIVSA-N 0 0 377.441 2.903 50 5 GFBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccc(F)cc3Cl)[n+]2[O-])cc1 ZINC000004922647 220792750 /nfs/dbraw/zinc/79/27/50/220792750.db2.gz QBWATICOWXHUOX-UHFFFAOYSA-N 0 0 393.762 2.827 50 5 GFBARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000005255057 220851222 /nfs/dbraw/zinc/85/12/22/220851222.db2.gz OIJJLVDTTUXKST-UHFFFAOYSA-N 0 0 395.371 2.896 50 5 GFBARN O=C(O[C@@H]1CCOC1=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006863736 220971846 /nfs/dbraw/zinc/97/18/46/220971846.db2.gz PNGUBLCBCWLWMI-OAHLLOKOSA-N 0 0 389.747 2.952 50 5 GFBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000007779675 221011077 /nfs/dbraw/zinc/01/10/77/221011077.db2.gz GZZDBQFODSCUAU-CQSZACIVSA-N 0 0 391.449 2.789 50 5 GFBARN CCNc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1[N+](=O)[O-] ZINC000007783867 221011337 /nfs/dbraw/zinc/01/13/37/221011337.db2.gz VLPLUGXCSRZMBL-UHFFFAOYSA-N 0 0 382.376 2.700 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008988421 221066502 /nfs/dbraw/zinc/06/65/02/221066502.db2.gz XCDMLORCDUPZKX-AWEZNQCLSA-N 0 0 398.400 2.789 50 5 GFBARN Cc1ccccc1-c1nc2[nH]c(=O)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2n1 ZINC000008971018 221067029 /nfs/dbraw/zinc/06/70/29/221067029.db2.gz DTALUHWSWCIKSD-UHFFFAOYSA-N 0 0 390.359 2.966 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000010669774 221106523 /nfs/dbraw/zinc/10/65/23/221106523.db2.gz DVCLTGJBVZYYNI-UHFFFAOYSA-N 0 0 389.433 2.730 50 5 GFBARN O=C(NCC1(c2ccccc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012637992 221216932 /nfs/dbraw/zinc/21/69/32/221216932.db2.gz PEDBLYKLBCFMDE-UHFFFAOYSA-N 0 0 381.432 2.893 50 5 GFBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000013040537 221258859 /nfs/dbraw/zinc/25/88/59/221258859.db2.gz VCCCOYROZVQQEN-CYBMUJFWSA-N 0 0 389.843 2.792 50 5 GFBARN CCCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 ZINC000014660645 221314153 /nfs/dbraw/zinc/31/41/53/221314153.db2.gz PWDNQIZLWRMIPD-UHFFFAOYSA-N 0 0 391.453 2.878 50 5 GFBARN Cc1c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000014798622 221317175 /nfs/dbraw/zinc/31/71/75/221317175.db2.gz YFOVVWPFGXRDTE-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN CC[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000015566219 221337145 /nfs/dbraw/zinc/33/71/45/221337145.db2.gz SXZVLOMLVOVRRO-ZDUSSCGKSA-N 0 0 381.388 2.501 50 5 GFBARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1 ZINC000015880792 221350943 /nfs/dbraw/zinc/35/09/43/221350943.db2.gz DMMFYBCQIILZBD-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN Cc1ccc(C(=O)C[C@H](NN2CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019169082 221398791 /nfs/dbraw/zinc/39/87/91/221398791.db2.gz JRVAZWDOLFNSOJ-FQEVSTJZSA-N 0 0 382.464 2.969 50 5 GFBARN C[C@H](OC(=O)CN1CCCCCC1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017728031 221385480 /nfs/dbraw/zinc/38/54/80/221385480.db2.gz XRLYYEQWDYHCAQ-LBPRGKRZSA-N 0 0 388.380 2.652 50 5 GFBARN COc1cc(C(=O)NCCc2ccccc2F)c([N+](=O)[O-])c(OC)c1OC ZINC000018123477 221387067 /nfs/dbraw/zinc/38/70/67/221387067.db2.gz ISITULWSYCOUHS-UHFFFAOYSA-N 0 0 378.356 2.732 50 5 GFBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000008720312 136195516 /nfs/dbraw/zinc/19/55/16/136195516.db2.gz ZAKMHJSKBXRPJM-MRXNPFEDSA-N 0 0 398.463 2.890 50 5 GFBARN C[C@H](OC(=O)c1cncn1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021433676 221531080 /nfs/dbraw/zinc/53/10/80/221531080.db2.gz QQCATOQPEWYLMZ-ZDUSSCGKSA-N 0 0 380.360 2.965 50 5 GFBARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000032910163 221748609 /nfs/dbraw/zinc/74/86/09/221748609.db2.gz WQDMYDXDKMNVPV-BETUJISGSA-N 0 0 375.425 2.513 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCCc2ccccc2)CC1 ZINC000036008009 221838010 /nfs/dbraw/zinc/83/80/10/221838010.db2.gz TZFKHHDAHLLHMV-UHFFFAOYSA-N 0 0 389.477 2.534 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000057009975 222028870 /nfs/dbraw/zinc/02/88/70/222028870.db2.gz OLIHFQAHLAIWIM-UHFFFAOYSA-N 0 0 394.424 2.761 50 5 GFBARN O=C([C@@H]1CC(=O)N(CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000059253257 222055748 /nfs/dbraw/zinc/05/57/48/222055748.db2.gz OFFVZLHTOCZNSN-CQSZACIVSA-N 0 0 399.369 2.744 50 5 GFBARN COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000000881993 534180825 /nfs/dbraw/zinc/18/08/25/534180825.db2.gz FNXFOBIIICNRKV-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000006995419 524500411 /nfs/dbraw/zinc/50/04/11/524500411.db2.gz DSTUQPWNJPCQAK-UHFFFAOYSA-N 0 0 399.153 2.754 50 5 GFBARN Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc([N+](=O)[O-])cc2)co1 ZINC000004251358 534796379 /nfs/dbraw/zinc/79/63/79/534796379.db2.gz ZLLZHTXRYUFPQM-UHFFFAOYSA-N 0 0 387.373 2.793 50 5 GFBARN Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000003880263 551094588 /nfs/dbraw/zinc/09/45/88/551094588.db2.gz VGYKGRXBPUIOTL-UHFFFAOYSA-N 0 0 379.166 2.979 50 5 GFBARN Nc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005034552 551095932 /nfs/dbraw/zinc/09/59/32/551095932.db2.gz AYJVHRCCMYMVLF-UHFFFAOYSA-N 0 0 378.797 2.931 50 5 GFBARN CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000005223055 551096884 /nfs/dbraw/zinc/09/68/84/551096884.db2.gz LEMCALOQWRMUSD-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN CC[C@@H](C)NC(=O)CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000225650392 553059383 /nfs/dbraw/zinc/05/93/83/553059383.db2.gz GSFWHWSFPRWQCI-LLVKDONJSA-N 0 0 389.283 2.938 50 5 GFBARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000006081604 570238517 /nfs/dbraw/zinc/23/85/17/570238517.db2.gz FHTUNYQZFMVDAT-MRXNPFEDSA-N 0 0 396.399 2.991 50 5 GFBARN O=c1c([N+](=O)[O-])c(Nc2cccc(Oc3cnccn3)c2)nc2ccccn21 ZINC000024658105 570277400 /nfs/dbraw/zinc/27/74/00/570277400.db2.gz FFXBCDASDABNQD-UHFFFAOYSA-N 0 0 376.332 2.929 50 5 GFBARN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000026120329 570280984 /nfs/dbraw/zinc/28/09/84/570280984.db2.gz UXUSUEXKXCUCTD-SFHVURJKSA-N 0 0 384.388 2.660 50 5 GFBARN O=C(Nc1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc1)C1CC1 ZINC000034681503 570299852 /nfs/dbraw/zinc/29/98/52/570299852.db2.gz QKONVLAPWNQAJS-UHFFFAOYSA-N 0 0 381.436 2.661 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] ZINC000005063737 570409088 /nfs/dbraw/zinc/40/90/88/570409088.db2.gz IAWYAEFHZYNINC-UHFFFAOYSA-N 0 0 399.384 2.837 50 5 GFBARN CN[C@@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000036123732 570545618 /nfs/dbraw/zinc/54/56/18/570545618.db2.gz ZKZOCVPSSVKPOV-CQSZACIVSA-N 0 0 389.213 2.642 50 5 GFBARN Cc1ncsc1CCOC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005446858 570596447 /nfs/dbraw/zinc/59/64/47/570596447.db2.gz RGPNKJQLSMOPIC-UHFFFAOYSA-N 0 0 377.422 2.596 50 5 GFBARN CCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000006801359 570603569 /nfs/dbraw/zinc/60/35/69/570603569.db2.gz LMHPWJWOSLXRFA-UHFFFAOYSA-N 0 0 383.452 2.651 50 5 GFBARN CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000032592154 570679145 /nfs/dbraw/zinc/67/91/45/570679145.db2.gz QXUBZXMLBSDRJI-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005656461 570680133 /nfs/dbraw/zinc/68/01/33/570680133.db2.gz PUUYXDARCYHAQX-UHFFFAOYSA-N 0 0 388.767 2.780 50 5 GFBARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000025186554 570742049 /nfs/dbraw/zinc/74/20/49/570742049.db2.gz GVIQQJIAWXUTMT-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000025242690 570743867 /nfs/dbraw/zinc/74/38/67/570743867.db2.gz CYPAEQIXRCZYKZ-UHFFFAOYSA-N 0 0 379.372 2.939 50 5 GFBARN O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000001165433 570759584 /nfs/dbraw/zinc/75/95/84/570759584.db2.gz VEYODNZDGXEVSY-LBPRGKRZSA-N 0 0 375.406 2.817 50 5 GFBARN Cc1cccc2c1NC1(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC1)NC2=O ZINC000034811890 570801472 /nfs/dbraw/zinc/80/14/72/570801472.db2.gz YEVXSEAVEOEJCZ-UHFFFAOYSA-N 0 0 380.404 2.691 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1N1CCCC1=O ZINC000012517408 570826197 /nfs/dbraw/zinc/82/61/97/570826197.db2.gz ZZSYVPOHZKWTPF-UHFFFAOYSA-N 0 0 384.392 2.781 50 5 GFBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000032853700 570854620 /nfs/dbraw/zinc/85/46/20/570854620.db2.gz NHMPBCYFNNDGDM-UHFFFAOYSA-N 0 0 380.408 2.592 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000024451281 570862986 /nfs/dbraw/zinc/86/29/86/570862986.db2.gz BJXJQBPQGWMXMA-UHFFFAOYSA-N 0 0 391.449 2.976 50 5 GFBARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000102862264 570868960 /nfs/dbraw/zinc/86/89/60/570868960.db2.gz GTFRELCRDZVNGO-OWCLPIDISA-N 0 0 387.779 2.725 50 5 GFBARN NS(=O)(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000012730934 570975593 /nfs/dbraw/zinc/97/55/93/570975593.db2.gz AXMLSHNZSJOSOF-UHFFFAOYSA-N 0 0 393.352 2.615 50 5 GFBARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033347628 570992289 /nfs/dbraw/zinc/99/22/89/570992289.db2.gz LVGWVXGRFHYSHI-DHDCSXOGSA-N 0 0 399.384 2.961 50 5 GFBARN CC1=Nc2nnnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCc1ccccc1 ZINC000004811228 570997634 /nfs/dbraw/zinc/99/76/34/570997634.db2.gz GZKJCKWTPBNABW-QGZVFWFLSA-N 0 0 392.375 2.614 50 5 GFBARN CCOc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)c1 ZINC000037520384 571022562 /nfs/dbraw/zinc/02/25/62/571022562.db2.gz FLMRAMSAVOMXBV-AWEZNQCLSA-N 0 0 383.404 2.871 50 5 GFBARN Cc1sc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000040107021 654620483 /nfs/dbraw/zinc/62/04/83/654620483.db2.gz XIBAHECOHOGVOR-SECBINFHSA-N 0 0 383.451 2.827 50 5 GFBARN Cc1nn(C)c(NC[C@H](O)COc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000058160132 654816180 /nfs/dbraw/zinc/81/61/80/654816180.db2.gz LJGPVDWEVDAJTJ-VIFPVBQESA-N 0 0 375.212 2.795 50 5 GFBARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000002064402 212263429 /nfs/dbraw/zinc/26/34/29/212263429.db2.gz NCGPAPOGNXUXQC-UHFFFAOYSA-N 0 0 389.389 2.517 50 5 GFBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000001218031 212230896 /nfs/dbraw/zinc/23/08/96/212230896.db2.gz UKIBYSMBCFFWBV-RMKNXTFCSA-N 0 0 384.344 2.820 50 5 GFBARN CC(=O)c1cccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 ZINC000001070191 212213729 /nfs/dbraw/zinc/21/37/29/212213729.db2.gz BWDVSLPBMXJPGK-UHFFFAOYSA-N 0 0 381.186 2.704 50 5 GFBARN COc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000009689948 212205158 /nfs/dbraw/zinc/20/51/58/212205158.db2.gz URZAUOZQVATCHK-CYBMUJFWSA-N 0 0 382.319 2.668 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000862515 212189383 /nfs/dbraw/zinc/18/93/83/212189383.db2.gz KVDZDVSPKABROQ-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000000787438 212180689 /nfs/dbraw/zinc/18/06/89/212180689.db2.gz YAMBMOLSSYRVMG-OVCLIPMQSA-N 0 0 382.328 2.873 50 5 GFBARN CCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000005938311 220909486 /nfs/dbraw/zinc/90/94/86/220909486.db2.gz GJHDBCDJUOJMOR-HXUWFJFHSA-N 0 0 381.388 2.807 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006050409 220915246 /nfs/dbraw/zinc/91/52/46/220915246.db2.gz JCMXNQXJHCSEAE-QGZVFWFLSA-N 0 0 396.359 2.590 50 5 GFBARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000007605036 221002516 /nfs/dbraw/zinc/00/25/16/221002516.db2.gz KFGKQHXMNWJPCH-NSHDSACASA-N 0 0 376.369 2.565 50 5 GFBARN O=C(c1ccccc1)c1ccc(N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000008132391 221028378 /nfs/dbraw/zinc/02/83/78/221028378.db2.gz LGAXGTKFXMDCNY-UHFFFAOYSA-N 0 0 389.415 2.942 50 5 GFBARN COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2=O)cc1 ZINC000008782336 221058303 /nfs/dbraw/zinc/05/83/03/221058303.db2.gz FZRFPHWAIGAUSV-GFCCVEGCSA-N 0 0 385.376 2.604 50 5 GFBARN CC(=O)OCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-] ZINC000008829943 221060002 /nfs/dbraw/zinc/06/00/02/221060002.db2.gz MBLGEEKSFMHNPQ-UHFFFAOYSA-N 0 0 378.366 2.991 50 5 aggregator GFBARN CCc1ccc(CN(C)C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000008512451 221043152 /nfs/dbraw/zinc/04/31/52/221043152.db2.gz MXMGPGLXABOAQV-UHFFFAOYSA-N 0 0 380.404 2.526 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000009751999 221091455 /nfs/dbraw/zinc/09/14/55/221091455.db2.gz WEIXGQTZCAWXJR-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN C[C@@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011384424 221114310 /nfs/dbraw/zinc/11/43/10/221114310.db2.gz ZDSQNOFRWDUFGK-LLVKDONJSA-N 0 0 397.815 2.521 50 5 GFBARN Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000012580095 221209494 /nfs/dbraw/zinc/20/94/94/221209494.db2.gz YYKYDJUXHNDNTP-QGZVFWFLSA-N 0 0 386.433 2.933 50 5 GFBARN COc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000012696039 221218166 /nfs/dbraw/zinc/21/81/66/221218166.db2.gz VCHBXMDHLVYSSF-CQSZACIVSA-N 0 0 380.784 2.729 50 5 GFBARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000013690997 221282237 /nfs/dbraw/zinc/28/22/37/221282237.db2.gz HBZAXNTVAVDPSA-UHFFFAOYSA-N 0 0 390.450 2.501 50 5 GFBARN COc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c([N+](=O)[O-])c1 ZINC000020616227 221505056 /nfs/dbraw/zinc/50/50/56/221505056.db2.gz REHPANKWDLQQLW-ZROIWOOFSA-N 0 0 384.304 2.769 50 5 GFBARN O=C1c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 ZINC000095470806 136179383 /nfs/dbraw/zinc/17/93/83/136179383.db2.gz MVVXTIHKQGMRHF-UHFFFAOYSA-N 0 0 377.356 2.953 50 5 GFBARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004941973 136194237 /nfs/dbraw/zinc/19/42/37/136194237.db2.gz CVDAAIFCBBKFRV-UHFFFAOYSA-N 0 0 375.406 2.777 50 5 GFBARN COc1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1OC(F)F ZINC000024202606 221610280 /nfs/dbraw/zinc/61/02/80/221610280.db2.gz JQLJJOWPXOUOSQ-UHFFFAOYSA-N 0 0 378.291 2.956 50 5 GFBARN Cc1ccc2c(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)cc(=O)oc2c1 ZINC000065322102 222123837 /nfs/dbraw/zinc/12/38/37/222123837.db2.gz ULKSXRRWOOOINV-UHFFFAOYSA-N 0 0 397.387 2.561 50 5 GFBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000065513530 222134189 /nfs/dbraw/zinc/13/41/89/222134189.db2.gz QLCFUUUCDGKXNZ-WBMJQRKESA-N 0 0 376.363 2.726 50 5 GFBARN O=c1nc2ccc(Br)cc2c2[nH]c(=O)c(-c3ccc(F)cc3)nn12 ZINC000071924194 222199998 /nfs/dbraw/zinc/19/99/98/222199998.db2.gz PYJOJPILMHTTIG-UHFFFAOYSA-N 0 0 387.168 2.912 50 5 GFBARN Cc1cccn2c1nc1c(cc(C(=O)NCc3ccco3)c(=N)n1C(C)C)c2=O ZINC000100630615 222461105 /nfs/dbraw/zinc/46/11/05/222461105.db2.gz NRMZLSBAVOBHAK-UHFFFAOYSA-N 0 0 391.431 2.541 50 5 GFBARN CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] ZINC000239378309 520683108 /nfs/dbraw/zinc/68/31/08/520683108.db2.gz ONVZBPNGXVPCMU-WNRNVDISSA-N 0 0 387.392 2.800 50 5 GFBARN Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1[N+](=O)[O-] ZINC000003426323 551093144 /nfs/dbraw/zinc/09/31/44/551093144.db2.gz FZCLKOYTFPGKNG-UHFFFAOYSA-N 0 0 375.332 2.781 50 5 GFBARN Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000006239407 551098625 /nfs/dbraw/zinc/09/86/25/551098625.db2.gz VIPYWBRZAJQRAO-UHFFFAOYSA-N 0 0 383.187 2.687 50 5 GFBARN COC(=O)c1c2ccccn2c(C(=O)c2ccccc2[N+](=O)[O-])c1C(=O)OC ZINC000006179834 570280812 /nfs/dbraw/zinc/28/08/12/570280812.db2.gz DIGHFRZYTIJJRX-UHFFFAOYSA-N 0 0 382.328 2.652 50 5 GFBARN CC[C@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000004835461 570310365 /nfs/dbraw/zinc/31/03/65/570310365.db2.gz KHRCIMOMHSKREL-KBPBESRZSA-N 0 0 377.441 2.903 50 5 GFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000004844845 570317936 /nfs/dbraw/zinc/31/79/36/570317936.db2.gz RGIBTVLGQIQDQP-GJZGRUSLSA-N 0 0 397.497 2.629 50 5 GFBARN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000023888257 570333542 /nfs/dbraw/zinc/33/35/42/570333542.db2.gz DLQZEASIRSRMOX-UHFFFAOYSA-N 0 0 376.848 2.662 50 5 GFBARN COc1ccc(CC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000006280631 570360749 /nfs/dbraw/zinc/36/07/49/570360749.db2.gz SEVJETUXYZWWLX-UHFFFAOYSA-N 0 0 388.376 2.645 50 5 GFBARN Cc1ccc(NC(=O)CN(C)C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000004975735 570387208 /nfs/dbraw/zinc/38/72/08/570387208.db2.gz VYACHSUWCCHUHG-UHFFFAOYSA-N 0 0 375.356 2.518 50 5 GFBARN Cc1cccc(COn2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2=O)c1 ZINC000005054749 570406988 /nfs/dbraw/zinc/40/69/88/570406988.db2.gz PZYBZOKOZQJFOO-UHFFFAOYSA-N 0 0 379.372 2.946 50 5 GFBARN O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1c(Cl)nc2sccn21 ZINC000003230770 570462473 /nfs/dbraw/zinc/46/24/73/570462473.db2.gz SUBMUKPCEAKVDB-UHFFFAOYSA-N 0 0 394.796 2.544 50 5 GFBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000005945869 570462611 /nfs/dbraw/zinc/46/26/11/570462611.db2.gz PXYQAIRTDXNCJY-UHFFFAOYSA-N 0 0 375.406 2.632 50 5 GFBARN Cn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000005516160 570623536 /nfs/dbraw/zinc/62/35/36/570623536.db2.gz RQWJIPLEWJZUFZ-UHFFFAOYSA-N 0 0 382.395 2.912 50 5 GFBARN O=C(COC(=O)c1cccc(CN2CCCC2=O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000025130414 570726582 /nfs/dbraw/zinc/72/65/82/570726582.db2.gz ZSRZTVXOUQVXGG-UHFFFAOYSA-N 0 0 397.387 2.513 50 5 GFBARN CCOC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100877242 570778477 /nfs/dbraw/zinc/77/84/77/570778477.db2.gz AZYGLAKNOUMWPM-HNENSFHCSA-N 0 0 385.401 2.915 50 5 GFBARN COc1ccc(C(=O)c2ccc(OC)c(OC)c2[N+](=O)[O-])c([N+](=O)[O-])c1OC ZINC000025579665 570792392 /nfs/dbraw/zinc/79/23/92/570792392.db2.gz LWXHRZVSOFKIGG-UHFFFAOYSA-N 0 0 392.320 2.768 50 5 GFBARN O=C(c1cccc(O)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(F)(F)F ZINC000005671328 570796200 /nfs/dbraw/zinc/79/62/00/570796200.db2.gz LKHIEQVCUIMQSA-MRXNPFEDSA-N 0 0 395.293 2.802 50 5 GFBARN NS(=O)(=O)c1ccc(NCCNc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000007185781 570811439 /nfs/dbraw/zinc/81/14/39/570811439.db2.gz CTPVONQPCJBEPW-UHFFFAOYSA-N 0 0 386.433 2.919 50 5 GFBARN C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H](C)O1 ZINC000012485983 570821443 /nfs/dbraw/zinc/82/14/43/570821443.db2.gz GCJFXGFJIDTXJD-VXGBXAGGSA-N 0 0 376.438 2.766 50 5 GFBARN COc1ccc2[nH]c(=NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000004515264 570827843 /nfs/dbraw/zinc/82/78/43/570827843.db2.gz BCBQLILPAFWDQY-UHFFFAOYSA-N 0 0 388.430 2.762 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000005702410 570828165 /nfs/dbraw/zinc/82/81/65/570828165.db2.gz IUDIQWHZOVKMCR-JTQLQIEISA-N 0 0 390.323 2.705 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102440269 570849202 /nfs/dbraw/zinc/84/92/02/570849202.db2.gz MVDLZRRQVPYMOI-VXGBXAGGSA-N 0 0 379.800 2.752 50 5 GFBARN CN(C)c1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(ncnc1N(C)C)O2 ZINC000004546363 570852901 /nfs/dbraw/zinc/85/29/01/570852901.db2.gz OVSWFOUMJPIOAX-UHFFFAOYSA-N 0 0 393.407 2.593 50 5 GFBARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000003587365 570877390 /nfs/dbraw/zinc/87/73/90/570877390.db2.gz XSISHDUCKCKQGJ-UHFFFAOYSA-N 0 0 377.328 2.677 50 5 GFBARN COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)cc1 ZINC000004751650 570963888 /nfs/dbraw/zinc/96/38/88/570963888.db2.gz DZRMTTDNBYLRMT-UHFFFAOYSA-N 0 0 384.344 2.648 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004815489 571049642 /nfs/dbraw/zinc/04/96/42/571049642.db2.gz OVFJOUYPWLTLLX-GOSISDBHSA-N 0 0 390.403 2.792 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004815488 571049863 /nfs/dbraw/zinc/04/98/63/571049863.db2.gz OVFJOUYPWLTLLX-SFHVURJKSA-N 0 0 390.403 2.792 50 5 GFBARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000004515944 204050067 /nfs/dbraw/zinc/05/00/67/204050067.db2.gz GZKUKGWZFCKGJR-BTDLBPIBSA-N 0 0 394.815 2.687 50 5 GFBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)Cc1ccccc1 ZINC000004687454 204064262 /nfs/dbraw/zinc/06/42/62/204064262.db2.gz AGNMOSXKDSKQJO-HNNXBMFYSA-N 0 0 375.450 2.635 50 5 GFBARN C[C@@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005126468 204112292 /nfs/dbraw/zinc/11/22/92/204112292.db2.gz IMHYJWQKPAXSMN-SSDOTTSWSA-N 0 0 375.332 2.861 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000005266887 204122842 /nfs/dbraw/zinc/12/28/42/204122842.db2.gz KYTQVBAJOCXNPE-UHFFFAOYSA-N 0 0 399.432 2.912 50 5 GFBARN Cc1ccc2nc(NC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)sc2c1 ZINC000005939280 204158149 /nfs/dbraw/zinc/15/81/49/204158149.db2.gz LXZRHWJAKJYELA-UHFFFAOYSA-N 0 0 386.389 2.891 50 5 GFBARN CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)sc(C)c1CC ZINC000006119977 204165629 /nfs/dbraw/zinc/16/56/29/204165629.db2.gz CHOHDUKOSDMDGE-UHFFFAOYSA-N 0 0 393.421 2.504 50 5 GFBARN Cc1cc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000006841422 204215110 /nfs/dbraw/zinc/21/51/10/204215110.db2.gz JUEGHMFHIPWPQM-GOSISDBHSA-N 0 0 384.388 2.660 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccn1 ZINC000006510497 204181336 /nfs/dbraw/zinc/18/13/36/204181336.db2.gz UNLMUAHUHAEBTQ-INIZCTEOSA-N 0 0 390.827 2.714 50 5 GFBARN Cc1c(-c2ccnc3cc(C(=O)Nc4ccccc4[N+](=O)[O-])nn32)cnn1C ZINC000006921775 204225231 /nfs/dbraw/zinc/22/52/31/204225231.db2.gz WPOADNUHTJOOFK-UHFFFAOYSA-N 0 0 377.364 2.599 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000007309428 204239040 /nfs/dbraw/zinc/23/90/40/204239040.db2.gz WSNXXXPXEDKHHP-INIZCTEOSA-N 0 0 390.417 2.892 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008451568 204276585 /nfs/dbraw/zinc/27/65/85/204276585.db2.gz HEMCLMKYUHKCOD-UHFFFAOYSA-N 0 0 376.350 2.638 50 5 GFBARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000008506224 204278154 /nfs/dbraw/zinc/27/81/54/204278154.db2.gz CJIMFQBDDYFAKD-UHFFFAOYSA-N 0 0 386.404 2.884 50 5 GFBARN C[C@H]1CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000009361307 204308405 /nfs/dbraw/zinc/30/84/05/204308405.db2.gz VMXHTJMPCSAJOW-UWVGGRQHSA-N 0 0 378.820 2.978 50 5 GFBARN O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000036390744 204320318 /nfs/dbraw/zinc/32/03/18/204320318.db2.gz ZWQMTZVNTHNHDB-UHFFFAOYSA-N 0 0 391.786 2.986 50 5 GFBARN Cc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009972447 204328721 /nfs/dbraw/zinc/32/87/21/204328721.db2.gz YVRMLZZEFHHMOZ-IRXDYDNUSA-N 0 0 387.417 2.515 50 5 GFBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccon3)cc2[N+](=O)[O-])C1 ZINC000011410502 204345152 /nfs/dbraw/zinc/34/51/52/204345152.db2.gz RWNFVIZHXSXMAZ-GFCCVEGCSA-N 0 0 388.380 2.615 50 5 GFBARN COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000010900788 204340398 /nfs/dbraw/zinc/34/03/98/204340398.db2.gz ZPPMLLOIAGVASZ-UHFFFAOYSA-N 0 0 385.420 2.712 50 5 GFBARN O=C(CCCNC(=O)NC1CCCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000014848724 204543540 /nfs/dbraw/zinc/54/35/40/204543540.db2.gz LCMWELMOQPKHGF-UHFFFAOYSA-N 0 0 391.472 2.535 50 5 GFBARN Cc1cc(C)n(-c2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)n1 ZINC000040145590 205058492 /nfs/dbraw/zinc/05/84/92/205058492.db2.gz CKPUOBQWKCETQI-UHFFFAOYSA-N 0 0 394.435 2.911 50 5 GFBARN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1-c1nc[nH]n1 ZINC000040287529 205061137 /nfs/dbraw/zinc/06/11/37/205061137.db2.gz NSASBQBTEPYFFU-UHFFFAOYSA-N 0 0 376.420 2.714 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000012917616 205882097 /nfs/dbraw/zinc/88/20/97/205882097.db2.gz METQABGHLUYTAH-UHFFFAOYSA-N 0 0 399.432 2.664 50 5 GFBARN COc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000022240009 205947739 /nfs/dbraw/zinc/94/77/39/205947739.db2.gz OUPZSDGIPWURIZ-INIZCTEOSA-N 0 0 399.447 2.715 50 5 GFBARN CCOC(=O)[C@@H]1C(=CCl)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000227144178 206099767 /nfs/dbraw/zinc/09/97/67/206099767.db2.gz AXKBUKCGIZQYPM-KTDOTMJKSA-N 0 0 394.811 2.988 50 5 GFBARN COc1ccc(NC(C)=O)cc1NC(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000032823992 206092276 /nfs/dbraw/zinc/09/22/76/206092276.db2.gz NGWGQRVCOJCWMZ-LBPRGKRZSA-N 0 0 398.419 2.952 50 5 GFBARN COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@@H]4[C@@]2(C)[C@@H](C[N@+]4([O-])C[C@H]1C)CC3 ZINC000252494899 533270038 /nfs/dbraw/zinc/27/00/38/533270038.db2.gz OHPSOIUFKKLGIW-AWVORQCJSA-N 0 0 399.487 2.872 50 5 GFBARN COc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1F ZINC000004889851 136194179 /nfs/dbraw/zinc/19/41/79/136194179.db2.gz GQIURKFIXVCNMB-UHFFFAOYSA-N 0 0 390.367 2.936 50 5 GFBARN O=C(N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019800041 551114611 /nfs/dbraw/zinc/11/46/11/551114611.db2.gz VANHQYGKEDTASY-YPMHNXCESA-N 0 0 396.658 2.790 50 5 GFBARN Cc1csc(Sc2ccc(C(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1 ZINC000022356870 551117382 /nfs/dbraw/zinc/11/73/82/551117382.db2.gz CHLHYPUDIODKDG-UHFFFAOYSA-N 0 0 378.479 2.899 50 5 GFBARN O=C(COc1c2cc(Br)ccc2ncc1[N+](=O)[O-])NCC1CC1 ZINC000170593503 551635399 /nfs/dbraw/zinc/63/53/99/551635399.db2.gz ZFLRDUZRUZWHPN-UHFFFAOYSA-N 0 0 380.198 2.811 50 5 GFBARN O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014898663 570267536 /nfs/dbraw/zinc/26/75/36/570267536.db2.gz ZERRNPSGSBBZDI-UHFFFAOYSA-N 0 0 391.431 2.672 50 5 GFBARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000024664443 570277986 /nfs/dbraw/zinc/27/79/86/570277986.db2.gz USTVZBVKEGBTAW-UHFFFAOYSA-N 0 0 399.447 2.878 50 5 GFBARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c3nonc32)ccc1[N+](=O)[O-] ZINC000000652245 570280913 /nfs/dbraw/zinc/28/09/13/570280913.db2.gz VSNWYDXPDZKFNS-UHFFFAOYSA-N 0 0 383.364 2.528 50 5 GFBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC(c2ccc(O)cc2)CC1 ZINC000014245569 570303097 /nfs/dbraw/zinc/30/30/97/570303097.db2.gz QSBJYDUBHNARCY-UHFFFAOYSA-N 0 0 381.388 2.734 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1C1CCCC1 ZINC000014245443 570303583 /nfs/dbraw/zinc/30/35/83/570303583.db2.gz WFZGGOOXEYTZQU-JTQLQIEISA-N 0 0 392.441 2.824 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000024833975 570311064 /nfs/dbraw/zinc/31/10/64/570311064.db2.gz BLNHISBCJLFUGZ-XTXLJPNXSA-N 0 0 381.432 2.798 50 5 GFBARN COC(=O)c1c2ccccn2c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)OC ZINC000000753743 570312909 /nfs/dbraw/zinc/31/29/09/570312909.db2.gz MAMKQGKMXOLMGO-UHFFFAOYSA-N 0 0 382.328 2.652 50 5 GFBARN COCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2cccs2)cc1OC ZINC000012948534 570317650 /nfs/dbraw/zinc/31/76/50/570317650.db2.gz VTGBQYOKHCSHNZ-UHFFFAOYSA-N 0 0 380.422 2.663 50 5 GFBARN CC(=O)N1c2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)cc2C[C@H]1C ZINC000012968150 570373061 /nfs/dbraw/zinc/37/30/61/570373061.db2.gz ZARODNMPWHDIPQ-LLVKDONJSA-N 0 0 376.390 2.660 50 5 GFBARN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000016629043 570455611 /nfs/dbraw/zinc/45/56/11/570455611.db2.gz KDZFLXUZEAHQGB-ZDUSSCGKSA-N 0 0 391.811 2.959 50 5 GFBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035870314 570468492 /nfs/dbraw/zinc/46/84/92/570468492.db2.gz KOXNEMYBQQKDFD-AZUAARDMSA-N 0 0 380.448 2.598 50 5 GFBARN CN1CCN([C@@H](CNC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000024239690 570482454 /nfs/dbraw/zinc/48/24/54/570482454.db2.gz UKXOOMKQXHOHCT-INIZCTEOSA-N 0 0 389.481 2.767 50 5 GFBARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003262672 570600345 /nfs/dbraw/zinc/60/03/45/570600345.db2.gz WGDTVOJXKJFYLK-FHNWIRHTSA-N 0 0 397.387 2.642 50 5 GFBARN O=C(NCc1ccc(N2CCCC2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033017158 570630547 /nfs/dbraw/zinc/63/05/47/570630547.db2.gz JHULBBIVCUQXNB-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN Cc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000006832201 570635967 /nfs/dbraw/zinc/63/59/67/570635967.db2.gz JGBIIQKRNUGLMZ-UHFFFAOYSA-N 0 0 377.422 2.668 50 5 GFBARN COCCn1c(=O)c2c(nc1SCc1ccc([N+](=O)[O-])cc1)CCS2 ZINC000004339383 570678184 /nfs/dbraw/zinc/67/81/84/570678184.db2.gz IWHJJHWNCBNGDN-UHFFFAOYSA-N 0 0 379.463 2.738 50 5 GFBARN Cc1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000001146616 570755474 /nfs/dbraw/zinc/75/54/74/570755474.db2.gz HKSPPWXDGAKUAJ-UHFFFAOYSA-N 0 0 377.422 2.616 50 5 GFBARN CC(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000032829138 570842616 /nfs/dbraw/zinc/84/26/16/570842616.db2.gz VOEXXOCIZRBSGA-UHFFFAOYSA-N 0 0 376.291 2.945 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000007470739 570847052 /nfs/dbraw/zinc/84/70/52/570847052.db2.gz RSNGVISGBYLPAZ-LJQANCHMSA-N 0 0 377.400 2.857 50 5 GFBARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000046406918 570855312 /nfs/dbraw/zinc/85/53/12/570855312.db2.gz ILEYAXUSHHZKSZ-CQSZACIVSA-N 0 0 380.408 2.923 50 5 GFBARN COC(=O)c1cc(COC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc1C ZINC000007555296 570878943 /nfs/dbraw/zinc/87/89/43/570878943.db2.gz LLKKQCQONSWYSO-ONEGZZNKSA-N 0 0 389.316 2.768 50 5 GFBARN CC(=O)c1ccccc1OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000012592490 570884038 /nfs/dbraw/zinc/88/40/38/570884038.db2.gz HPNIKIFSQDNUMG-FQEVSTJZSA-N 0 0 397.387 2.643 50 5 GFBARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000023077722 570901048 /nfs/dbraw/zinc/90/10/48/570901048.db2.gz LCEUQOFLZPZXBI-KRWDZBQOSA-N 0 0 390.827 2.680 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])cc1C)C[C@H](C)CC2 ZINC000002092715 570939645 /nfs/dbraw/zinc/93/96/45/570939645.db2.gz CAVWZRBKLFQUND-SECBINFHSA-N 0 0 392.437 2.711 50 5 GFBARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002092058 570939689 /nfs/dbraw/zinc/93/96/89/570939689.db2.gz QQZRAIBGAPSQBE-OAHLLOKOSA-N 0 0 379.438 2.861 50 5 GFBARN O=C(c1ccccc1-n1cccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032932089 570946353 /nfs/dbraw/zinc/94/63/53/570946353.db2.gz FQONHXYJKNVMNT-UHFFFAOYSA-N 0 0 377.404 2.743 50 5 GFBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1cc([N+](=O)[O-])c(NC(C)=O)cc1C2=O ZINC000004887123 203755506 /nfs/dbraw/zinc/75/55/06/203755506.db2.gz LBPAVLHBURNBDD-UHFFFAOYSA-N 0 0 384.304 2.631 50 5 GFBARN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001116977 203885511 /nfs/dbraw/zinc/88/55/11/203885511.db2.gz AOGOLXQSQFIUGJ-UHFFFAOYSA-N 0 0 397.840 2.898 50 5 GFBARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002423400 203944072 /nfs/dbraw/zinc/94/40/72/203944072.db2.gz ZDHUVKUNULUHPU-QGZVFWFLSA-N 0 0 380.356 2.893 50 5 GFBARN Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c12 ZINC000002792492 203963763 /nfs/dbraw/zinc/96/37/63/203963763.db2.gz BEDHVRDJNYEWPZ-UHFFFAOYSA-N 0 0 382.405 2.924 50 5 GFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cc1F ZINC000003461063 204009512 /nfs/dbraw/zinc/00/95/12/204009512.db2.gz YJXUXDFRZCLGCD-UHFFFAOYSA-N 0 0 377.715 2.622 50 5 GFBARN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 ZINC000004380063 204042426 /nfs/dbraw/zinc/04/24/26/204042426.db2.gz NDPKFDOUHFAUMO-GIQGCJHYSA-N 0 0 386.404 2.949 50 5 GFBARN COc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000004873778 204084544 /nfs/dbraw/zinc/08/45/44/204084544.db2.gz FKBBJTGMCNLPMS-UHFFFAOYSA-N 0 0 378.385 2.544 50 5 GFBARN CC(C)(C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004578403 204054989 /nfs/dbraw/zinc/05/49/89/204054989.db2.gz RPERSFKTKYPYFM-UHFFFAOYSA-N 0 0 391.449 2.705 50 5 GFBARN O=[N+]([O-])c1c(Nc2ccc(CCO)cc2)ncnc1Nc1ccc(CCO)cc1 ZINC000004623371 204058364 /nfs/dbraw/zinc/05/83/64/204058364.db2.gz HVNYUXGJLMAXFC-UHFFFAOYSA-N 0 0 395.419 2.942 50 5 GFBARN COc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000005246116 204122247 /nfs/dbraw/zinc/12/22/47/204122247.db2.gz FEHMWJLVTBFGNU-YRGRVCCFSA-N 0 0 394.424 2.852 50 5 GFBARN COc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000005054773 204107890 /nfs/dbraw/zinc/10/78/90/204107890.db2.gz DMHCGTTXJOZJPI-UHFFFAOYSA-N 0 0 395.371 2.646 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)cc1 ZINC000005090768 204109433 /nfs/dbraw/zinc/10/94/33/204109433.db2.gz ZYPLNSKTYUKOKS-UHFFFAOYSA-N 0 0 393.440 2.862 50 5 GFBARN Cc1nn(C)cc1CNC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005697228 204148006 /nfs/dbraw/zinc/14/80/06/204148006.db2.gz LFUXQCXDXRKMTD-UHFFFAOYSA-N 0 0 398.467 2.689 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc2c(c1)OCO2 ZINC000005972136 204159661 /nfs/dbraw/zinc/15/96/61/204159661.db2.gz RBQNFFODSVLXKY-UHFFFAOYSA-N 0 0 398.371 2.963 50 5 GFBARN Cc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000005505477 204135634 /nfs/dbraw/zinc/13/56/34/204135634.db2.gz RILBEJSOMWNYRB-GOSISDBHSA-N 0 0 384.388 2.660 50 5 GFBARN O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005688670 204146451 /nfs/dbraw/zinc/14/64/51/204146451.db2.gz QQDIECAHRLASPF-SFHVURJKSA-N 0 0 381.388 2.545 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006663995 204190872 /nfs/dbraw/zinc/19/08/72/204190872.db2.gz LFXBULRTFYHELR-SFHVURJKSA-N 0 0 399.403 2.531 50 5 GFBARN COc1ccccc1CNC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007778529 204250211 /nfs/dbraw/zinc/25/02/11/204250211.db2.gz OUQPEWSIRSRRSW-UHFFFAOYSA-N 0 0 378.768 2.730 50 5 GFBARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008653011 204281633 /nfs/dbraw/zinc/28/16/33/204281633.db2.gz FEUDCKTXWIBMCA-AWEZNQCLSA-N 0 0 388.361 2.945 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1N1CCCC1=O ZINC000009751993 204323620 /nfs/dbraw/zinc/32/36/20/204323620.db2.gz BPUBCTWICVTDEN-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000012695067 204435504 /nfs/dbraw/zinc/43/55/04/204435504.db2.gz XCDMLORCDUPZKX-CQSZACIVSA-N 0 0 398.400 2.789 50 5 GFBARN Cc1c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000012902812 204463084 /nfs/dbraw/zinc/46/30/84/204463084.db2.gz PTUHLFWYXXPUNF-UHFFFAOYSA-N 0 0 394.387 2.791 50 5 GFBARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000012980902 204472800 /nfs/dbraw/zinc/47/28/00/204472800.db2.gz WLOPUEVECKQFKS-UHFFFAOYSA-N 0 0 388.405 2.995 50 5 GFBARN Cn1c2ccc([N+](=O)[O-])cc2nc1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000013238208 204485623 /nfs/dbraw/zinc/48/56/23/204485623.db2.gz WWSRUZWPNPSNNG-UHFFFAOYSA-N 0 0 385.468 2.706 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000027520422 204856102 /nfs/dbraw/zinc/85/61/02/204856102.db2.gz WFAJIQFARGYVGC-UHFFFAOYSA-N 0 0 385.288 2.870 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040039671 205047106 /nfs/dbraw/zinc/04/71/06/205047106.db2.gz FFEDSVGOBMJBOO-LJQANCHMSA-N 0 0 379.416 2.784 50 5 GFBARN COc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000048278752 205115873 /nfs/dbraw/zinc/11/58/73/205115873.db2.gz OBYAZZXROOTXQG-GOSISDBHSA-N 0 0 383.404 2.697 50 5 GFBARN COC(=O)c1cc(CN(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)oc1C ZINC000048263064 205117321 /nfs/dbraw/zinc/11/73/21/205117321.db2.gz HJCUSGSQZPGBTM-UHFFFAOYSA-N 0 0 398.375 2.741 50 5 GFBARN CN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000058226354 205170839 /nfs/dbraw/zinc/17/08/39/205170839.db2.gz SHICHWORFSIKTH-HNNXBMFYSA-N 0 0 397.497 2.775 50 5 GFBARN Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000059265827 205178165 /nfs/dbraw/zinc/17/81/65/205178165.db2.gz KNWRCQXFCHHDFF-UHFFFAOYSA-N 0 0 379.376 2.991 50 5 GFBARN COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000072313083 205323371 /nfs/dbraw/zinc/32/33/71/205323371.db2.gz MSGROXWXEUTWTR-CXAGYDPISA-N 0 0 392.433 2.732 50 5 GFBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000015633057 205900347 /nfs/dbraw/zinc/90/03/47/205900347.db2.gz WBBNZEVNWHPKBK-UHFFFAOYSA-N 0 0 382.307 2.829 50 5 GFBARN COCCOc1ccc(S(=O)(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000225708088 206069526 /nfs/dbraw/zinc/06/95/26/206069526.db2.gz NTMNPIYTMPOYLY-UHFFFAOYSA-N 0 0 384.385 2.868 50 5 GFBARN COc1ccc2[nH]c([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000225548054 206057804 /nfs/dbraw/zinc/05/78/04/206057804.db2.gz ICVJMFOWXISUSV-LLVKDONJSA-N 0 0 390.421 2.828 50 5 GFBARN CCNS(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033332679 206098765 /nfs/dbraw/zinc/09/87/65/206098765.db2.gz JTRFAMAZFWZWDI-XGICHPGQSA-N 0 0 375.406 2.545 50 5 GFBARN COC(=O)c1cc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000229865961 206107512 /nfs/dbraw/zinc/10/75/12/206107512.db2.gz YLBBASGDYUZGAP-XJKSGUPXSA-N 0 0 392.433 2.772 50 5 GFBARN CCc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000032937423 206094634 /nfs/dbraw/zinc/09/46/34/206094634.db2.gz PHVUIBJAWYBLNL-MRXNPFEDSA-N 0 0 391.811 2.599 50 5 GFBARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c(OC)c1OC ZINC000000994318 220473299 /nfs/dbraw/zinc/47/32/99/220473299.db2.gz VPNOPVRZNGIKRR-GXDHUFHOSA-N 0 0 384.344 2.965 50 5 GFBARN Cc1sc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000040106947 132396574 /nfs/dbraw/zinc/39/65/74/132396574.db2.gz MYZSZLRJMSNORR-UHFFFAOYSA-N 0 0 394.840 2.807 50 5 GFBARN O=C(Cc1ccccc1)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048253669 570227354 /nfs/dbraw/zinc/22/73/54/570227354.db2.gz PPDYFZZCRFCDND-UHFFFAOYSA-N 0 0 393.447 2.725 50 5 GFBARN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)Cn1cccn1 ZINC000048303364 570231794 /nfs/dbraw/zinc/23/17/94/570231794.db2.gz LUHVLVDIKKGEHP-UHFFFAOYSA-N 0 0 393.403 2.920 50 5 GFBARN Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000043037192 570262249 /nfs/dbraw/zinc/26/22/49/570262249.db2.gz WFSSQZHQVGNJJS-INIZCTEOSA-N 0 0 384.436 2.723 50 5 GFBARN O=C(CSc1nccc(=O)[nH]1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000015980749 570304378 /nfs/dbraw/zinc/30/43/78/570304378.db2.gz KJUMJGHQXQDJBK-UHFFFAOYSA-N 0 0 389.418 2.532 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2nccs2)CC1 ZINC000026342344 570325126 /nfs/dbraw/zinc/32/51/26/570325126.db2.gz JMVIVEDWRPTAQF-UHFFFAOYSA-N 0 0 375.454 2.511 50 5 GFBARN Cc1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000005075526 570411780 /nfs/dbraw/zinc/41/17/80/570411780.db2.gz MBHIMXAYVRSKEH-UHFFFAOYSA-N 0 0 375.406 2.695 50 5 GFBARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1OC ZINC000013022511 570419254 /nfs/dbraw/zinc/41/92/54/570419254.db2.gz HDVRPKXEVNPZBD-CYBMUJFWSA-N 0 0 399.403 2.912 50 5 GFBARN CC(=O)Nc1cccc2c1CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000054125374 570449238 /nfs/dbraw/zinc/44/92/38/570449238.db2.gz CSQCRNUMEVQTKU-UHFFFAOYSA-N 0 0 389.433 2.519 50 5 GFBARN COCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccco1 ZINC000002328044 570472945 /nfs/dbraw/zinc/47/29/45/570472945.db2.gz ANXUKZWNUVQACU-UHFFFAOYSA-N 0 0 382.372 2.808 50 5 GFBARN CCOc1cc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000072307828 570525755 /nfs/dbraw/zinc/52/57/55/570525755.db2.gz HKBRCVMZZCQSLH-OAHLLOKOSA-N 0 0 388.346 2.979 50 5 GFBARN Cn1nnnc1Sc1c(=O)[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1 ZINC000013842785 570699577 /nfs/dbraw/zinc/69/95/77/570699577.db2.gz ZCWWJOCWKGTNJO-UHFFFAOYSA-N 0 0 380.389 2.778 50 5 GFBARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017286245 570702583 /nfs/dbraw/zinc/70/25/83/570702583.db2.gz WNMDKVDCZGLROY-FQEVSTJZSA-N 0 0 380.448 2.737 50 5 GFBARN COc1cc(CCNC(=O)CCc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000032819243 570841018 /nfs/dbraw/zinc/84/10/18/570841018.db2.gz UIGBGBAHYWCZGK-UHFFFAOYSA-N 0 0 398.419 2.780 50 5 GFBARN COC(=O)[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(O)c1 ZINC000170598083 570856458 /nfs/dbraw/zinc/85/64/58/570856458.db2.gz OXWAOELBLGIIJS-MRXNPFEDSA-N 0 0 380.784 2.966 50 5 GFBARN CC(C)c1nnc2n1CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)[C@@H]2C ZINC000170603527 570862816 /nfs/dbraw/zinc/86/28/16/570862816.db2.gz KOFRIMHDNIXFTL-CYBMUJFWSA-N 0 0 395.423 2.712 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000015270914 570886678 /nfs/dbraw/zinc/88/66/78/570886678.db2.gz YDXNISLBOLMLHD-UHFFFAOYSA-N 0 0 396.403 2.959 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(Cl)c1N ZINC000018403516 570940762 /nfs/dbraw/zinc/94/07/62/570940762.db2.gz KWWVMIUKIOFIGD-UHFFFAOYSA-N 0 0 379.756 2.635 50 5 GFBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539598 570963609 /nfs/dbraw/zinc/96/36/09/570963609.db2.gz VWFNVSIIUJZMAB-ZDUSSCGKSA-N 0 0 392.456 2.911 50 5 GFBARN Cc1ccccc1OCCN(C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012761193 571011433 /nfs/dbraw/zinc/01/14/33/571011433.db2.gz FEPONVOIAXGVKZ-UHFFFAOYSA-N 0 0 399.447 2.891 50 5 GFBARN Cc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cs1 ZINC000079111038 655007003 /nfs/dbraw/zinc/00/70/03/655007003.db2.gz QTIJAKMHHWUQMY-UHFFFAOYSA-N 0 0 375.859 2.843 50 5 GFBARN C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000025576216 230914111 /nfs/dbraw/zinc/91/41/11/230914111.db2.gz OAOSDTDGBJUYMR-OAHLLOKOSA-N 0 0 394.435 2.847 50 5 GFBARN CC(C)(C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3N=NN1c1ccccc1[N+](=O)[O-] ZINC000245234498 203813180 /nfs/dbraw/zinc/81/31/80/203813180.db2.gz BGEBNCFBGNHABL-WUZBVLBZSA-N 0 0 383.408 2.569 50 5 GFBARN COc1ccc(-n2cnnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003393134 204003788 /nfs/dbraw/zinc/00/37/88/204003788.db2.gz FYZRITFMVQVLTE-UHFFFAOYSA-N 0 0 385.405 2.915 50 5 GFBARN COc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c([N+](=O)[O-])cc1OC ZINC000003392587 204003977 /nfs/dbraw/zinc/00/39/77/204003977.db2.gz CVKRXHJIIMGHER-UHFFFAOYSA-N 0 0 396.302 2.686 50 5 GFBARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc([N+](=O)[O-])cc2)C3)cc1 ZINC000004727967 204069759 /nfs/dbraw/zinc/06/97/59/204069759.db2.gz GNNXWGCMVGGHGR-SFHVURJKSA-N 0 0 394.387 2.600 50 5 GFBARN COc1cc(OC)c(OC)cc1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000004644374 204059499 /nfs/dbraw/zinc/05/94/99/204059499.db2.gz KGBCYJFHAOGZNC-RIYZIHGNSA-N 0 0 384.344 2.965 50 5 GFBARN COc1cccc(CNc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])c1 ZINC000004922903 204092739 /nfs/dbraw/zinc/09/27/39/204092739.db2.gz ZJZKAFSBGZEBFZ-UHFFFAOYSA-N 0 0 375.772 2.688 50 5 GFBARN CC(C)CC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005607142 204143544 /nfs/dbraw/zinc/14/35/44/204143544.db2.gz WZGGLUQLQCFCGG-UHFFFAOYSA-N 0 0 384.889 2.817 50 5 GFBARN C[C@H](O)CNc1nc2ccccc2nc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000006672952 204192157 /nfs/dbraw/zinc/19/21/57/204192157.db2.gz UADYRBFKZUEBPX-ZDUSSCGKSA-N 0 0 382.424 2.855 50 5 GFBARN COc1ccc(CN(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000007195241 204235946 /nfs/dbraw/zinc/23/59/46/204235946.db2.gz SQGDMTKWDILTBG-UHFFFAOYSA-N 0 0 399.403 2.534 50 5 GFBARN Cc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008767913 204289768 /nfs/dbraw/zinc/28/97/68/204289768.db2.gz YVRMLZZEFHHMOZ-SJORKVTESA-N 0 0 387.417 2.515 50 5 GFBARN COc1cc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000008993879 204295320 /nfs/dbraw/zinc/29/53/20/204295320.db2.gz IOVQDFJPKXAZNT-UHFFFAOYSA-N 0 0 396.346 2.943 50 5 GFBARN C[C@H]1CCC[C@H](C)N1C(=O)COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000008984803 204295523 /nfs/dbraw/zinc/29/55/23/204295523.db2.gz BCDMXPUHMVHPMP-KBPBESRZSA-N 0 0 375.425 2.890 50 5 GFBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000008146440 204263147 /nfs/dbraw/zinc/26/31/47/204263147.db2.gz UHHDNAYZMVXZMT-UHFFFAOYSA-N 0 0 377.784 2.861 50 5 GFBARN CCOc1ccc2nc(SCC(=O)Nc3nonc3[N+](=O)[O-])sc2c1 ZINC000010059978 204330592 /nfs/dbraw/zinc/33/05/92/204330592.db2.gz NIBOVILJZCDBNT-UHFFFAOYSA-N 0 0 381.395 2.717 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000010620748 204337531 /nfs/dbraw/zinc/33/75/31/204337531.db2.gz JOJTWFOUTRMNTN-UHFFFAOYSA-N 0 0 378.406 2.547 50 5 GFBARN COc1ccc(CCNc2cc([N+](=O)[O-])cc3nc(C)n(C)c(=O)c32)cc1OC ZINC000012463262 204414042 /nfs/dbraw/zinc/41/40/42/204414042.db2.gz VQTUINQOGHDMBD-UHFFFAOYSA-N 0 0 398.419 2.822 50 5 GFBARN COc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000024759282 204825503 /nfs/dbraw/zinc/82/55/03/204825503.db2.gz AFVLTADXAXRQQQ-UHFFFAOYSA-N 0 0 383.360 2.505 50 5 GFBARN CN(C)C(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000040071033 204869565 /nfs/dbraw/zinc/86/95/65/204869565.db2.gz YOONCDJCVCQEFX-UHFFFAOYSA-N 0 0 377.784 2.968 50 5 GFBARN O=C1NC2(CCCC2)C(=O)N1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000042109614 205079524 /nfs/dbraw/zinc/07/95/24/205079524.db2.gz NFYXTWUZNDOUDS-UHFFFAOYSA-N 0 0 383.408 2.810 50 5 GFBARN O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000055345694 205146819 /nfs/dbraw/zinc/14/68/19/205146819.db2.gz VPWXGFJQDLFANG-UHFFFAOYSA-N 0 0 397.460 2.965 50 5 GFBARN COc1ccc([C@H]2OC(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000064819846 205197192 /nfs/dbraw/zinc/19/71/92/205197192.db2.gz VTJBFQXXQDHHRE-QGZVFWFLSA-N 0 0 386.320 2.751 50 5 GFBARN COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072054287 205302927 /nfs/dbraw/zinc/30/29/27/205302927.db2.gz VLMBAGCKHVCVIA-UHFFFAOYSA-N 0 0 397.431 2.567 50 5 GFBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004370803 205744595 /nfs/dbraw/zinc/74/45/95/205744595.db2.gz OVGJQTGHIILAPR-UHFFFAOYSA-N 0 0 377.740 2.717 50 5 GFBARN CCc1ccccc1NC(=O)CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008024186 205792800 /nfs/dbraw/zinc/79/28/00/205792800.db2.gz QPDXUISSICMISA-BQYQJAHWSA-N 0 0 397.387 2.654 50 5 GFBARN CCOC(=O)CSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000020971683 205927700 /nfs/dbraw/zinc/92/77/00/205927700.db2.gz XTWAFAQWYCTXMO-UHFFFAOYSA-N 0 0 381.435 2.953 50 5 GFBARN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000225462082 206050230 /nfs/dbraw/zinc/05/02/30/206050230.db2.gz BVGNGNPXHPBRPS-GXTWGEPZSA-N 0 0 392.456 2.861 50 5 GFBARN O=C(/C=C/c1cccs1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000032935426 206096477 /nfs/dbraw/zinc/09/64/77/206096477.db2.gz PBBMRQTXDGSKEF-GQCTYLIASA-N 0 0 397.460 2.821 50 5 GFBARN CC(=O)N(C(C)=O)n1c(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000033399315 206098919 /nfs/dbraw/zinc/09/89/19/206098919.db2.gz ZUEIMSNCSWEZKT-XFXZXTDPSA-N 0 0 392.371 2.506 50 5 GFBARN Cc1nnc2c3ccccc3nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n12 ZINC000007500021 221000189 /nfs/dbraw/zinc/00/01/89/221000189.db2.gz XPQBDYWVKFUWLO-UHFFFAOYSA-N 0 0 389.419 2.821 50 5 GFBARN Cc1nc2ccccc2nc1COC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000012810552 221235250 /nfs/dbraw/zinc/23/52/50/221235250.db2.gz SPMQJLNIWJKVSR-CYBMUJFWSA-N 0 0 394.387 2.708 50 5 GFBARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000005375510 136194707 /nfs/dbraw/zinc/19/47/07/136194707.db2.gz SGPOLEBXQFJMFO-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022298773 136203664 /nfs/dbraw/zinc/20/36/64/136203664.db2.gz NRHOQEVMXOKBJF-SFHVURJKSA-N 0 0 391.855 2.810 50 5 GFBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nc2ccccc2s1 ZINC000036191649 221846543 /nfs/dbraw/zinc/84/65/43/221846543.db2.gz VEEHBOQNQBQPOO-UHFFFAOYSA-N 0 0 397.460 2.965 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1cc([N+](=O)[O-])ccc1Cl ZINC000013614570 551109068 /nfs/dbraw/zinc/10/90/68/551109068.db2.gz RIKGLXQAOBHZDO-UHFFFAOYSA-N 0 0 383.725 2.684 50 5 GFBARN Cc1cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)n(-c2ccccc2)n1 ZINC000020353082 551115760 /nfs/dbraw/zinc/11/57/60/551115760.db2.gz KTJSFVJSZDGOLU-UHFFFAOYSA-N 0 0 391.185 2.827 50 5 GFBARN CCn1cc([C@H](C)NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(C)n1 ZINC000000653250 570285232 /nfs/dbraw/zinc/28/52/32/570285232.db2.gz JBNWYROHIUGMFL-ZDUSSCGKSA-N 0 0 382.424 2.855 50 5 GFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020087 570419094 /nfs/dbraw/zinc/41/90/94/570419094.db2.gz GGBNBZCXVUFJKS-CYBMUJFWSA-N 0 0 398.398 2.946 50 5 GFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1C ZINC000002353834 570475392 /nfs/dbraw/zinc/47/53/92/570475392.db2.gz PKICBLXZUDSYSZ-UHFFFAOYSA-N 0 0 375.428 2.870 50 5 GFBARN CNc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024301824 570489176 /nfs/dbraw/zinc/48/91/76/570489176.db2.gz FJRNZHLNIMAXIC-UHFFFAOYSA-N 0 0 396.447 2.529 50 5 GFBARN O=[N+]([O-])c1ccc(NCC2CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006623578 570507256 /nfs/dbraw/zinc/50/72/56/570507256.db2.gz JWBPIOYYMRHJLL-UHFFFAOYSA-N 0 0 383.470 2.608 50 5 GFBARN COC(=O)c1cccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])c1 ZINC000006831704 570635644 /nfs/dbraw/zinc/63/56/44/570635644.db2.gz JUSVCEQWBIDTKV-UHFFFAOYSA-N 0 0 393.421 2.812 50 5 GFBARN CCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024981583 570655499 /nfs/dbraw/zinc/65/54/99/570655499.db2.gz SOYWSAIPBQELNG-UHFFFAOYSA-N 0 0 382.376 2.689 50 5 GFBARN C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)NC1CCCC1 ZINC000025107409 570724201 /nfs/dbraw/zinc/72/42/01/570724201.db2.gz XLNVMGOQCDBMSS-CQSZACIVSA-N 0 0 389.452 2.802 50 5 GFBARN Cn1c(=O)c2c(-c3ccc([N+](=O)[O-])cc3)cc(-c3cccs3)nc2n(C)c1=O ZINC000032655422 570727103 /nfs/dbraw/zinc/72/71/03/570727103.db2.gz SHMCWOKSDXJARH-UHFFFAOYSA-N 0 0 394.412 2.936 50 5 GFBARN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2c(c1)OCO2 ZINC000001055544 570748694 /nfs/dbraw/zinc/74/86/94/570748694.db2.gz TZISRIHNGPCDCX-SNVBAGLBSA-N 0 0 382.328 2.921 50 5 GFBARN CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000001117426 570753855 /nfs/dbraw/zinc/75/38/55/570753855.db2.gz RFOZOZQFEJKCOL-UHFFFAOYSA-N 0 0 391.449 2.870 50 5 GFBARN Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000001117640 570753924 /nfs/dbraw/zinc/75/39/24/570753924.db2.gz WGRGKGATBLSOQA-UHFFFAOYSA-N 0 0 391.449 2.925 50 5 GFBARN CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000005864282 570798454 /nfs/dbraw/zinc/79/84/54/570798454.db2.gz TWYPSNPTIPZXSJ-UHFFFAOYSA-N 0 0 395.462 2.576 50 5 GFBARN Cc1ccc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000034854192 570803681 /nfs/dbraw/zinc/80/36/81/570803681.db2.gz RIIVEZQCOPAEFP-UHFFFAOYSA-N 0 0 391.449 2.632 50 5 GFBARN C[C@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H](C)O1 ZINC000012485975 570821375 /nfs/dbraw/zinc/82/13/75/570821375.db2.gz GCJFXGFJIDTXJD-RYUDHWBXSA-N 0 0 376.438 2.766 50 5 GFBARN CC(C)NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012523195 570829409 /nfs/dbraw/zinc/82/94/09/570829409.db2.gz GXFOZEQUVVFYRT-UHFFFAOYSA-N 0 0 388.390 2.650 50 5 GFBARN CC1(C)Cc2cccc(OCCNC(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)c2O1 ZINC000024451342 570863164 /nfs/dbraw/zinc/86/31/64/570863164.db2.gz NEOCBFJSHAQPNH-UHFFFAOYSA-N 0 0 396.403 2.993 50 5 GFBARN COc1cc(CCNS(=O)(=O)c2ccc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000015362637 570892447 /nfs/dbraw/zinc/89/24/47/570892447.db2.gz HMWICAOYYSHONJ-UHFFFAOYSA-N 0 0 394.449 2.750 50 5 GFBARN Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1[N+](=O)[O-] ZINC000023058188 570894723 /nfs/dbraw/zinc/89/47/23/570894723.db2.gz BXBXUNDPEYIJOW-UHFFFAOYSA-N 0 0 394.787 2.969 50 5 GFBARN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc2c1CCC2 ZINC000408517870 231049375 /nfs/dbraw/zinc/04/93/75/231049375.db2.gz OHNNTGRJTMDMHY-UHFFFAOYSA-N 0 0 391.431 2.681 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccnc1Cl ZINC000003288412 203995669 /nfs/dbraw/zinc/99/56/69/203995669.db2.gz LQUACKKLEDTOBJ-VIFPVBQESA-N 0 0 379.756 2.836 50 5 GFBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000003596253 204014455 /nfs/dbraw/zinc/01/44/55/204014455.db2.gz URYAEKOBVKIOQO-FQEVSTJZSA-N 0 0 396.403 2.781 50 5 GFBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000004176438 204029976 /nfs/dbraw/zinc/02/99/76/204029976.db2.gz UKJIJPQKWZFDDP-UHFFFAOYSA-N 0 0 391.453 2.558 50 5 GFBARN CN(c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O ZINC000004699401 204065129 /nfs/dbraw/zinc/06/51/29/204065129.db2.gz XCFXSTOGHXMMOL-MDZDMXLPSA-N 0 0 375.406 2.643 50 5 GFBARN S=c1[nH]nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCCC5 ZINC000004717862 204067578 /nfs/dbraw/zinc/06/75/78/204067578.db2.gz IVMMMABAEZFXNC-UHFFFAOYSA-N 0 0 398.517 2.891 50 5 GFBARN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1CCOCC1 ZINC000004710774 204068095 /nfs/dbraw/zinc/06/80/95/204068095.db2.gz CAUZTBYSHQEGRG-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2F)cc1 ZINC000004772576 204074355 /nfs/dbraw/zinc/07/43/55/204074355.db2.gz CWPJOMWQFDGVLA-UHFFFAOYSA-N 0 0 384.367 2.917 50 5 GFBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004821169 204079171 /nfs/dbraw/zinc/07/91/71/204079171.db2.gz LWKALYWRTMSMEH-UHFFFAOYSA-N 0 0 390.812 2.955 50 5 GFBARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000004686716 204063955 /nfs/dbraw/zinc/06/39/55/204063955.db2.gz ZUNOJGNCGZACEM-QGZVFWFLSA-N 0 0 392.433 2.876 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000005092321 204110931 /nfs/dbraw/zinc/11/09/31/204110931.db2.gz CVZXNSIMGSRIKM-XLAORIBOSA-N 0 0 389.367 2.791 50 5 GFBARN COc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000005126433 204112422 /nfs/dbraw/zinc/11/24/22/204112422.db2.gz JQLVWOJRFJLKKW-UHFFFAOYSA-N 0 0 382.394 2.730 50 5 GFBARN Cc1cnc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000004948049 204095851 /nfs/dbraw/zinc/09/58/51/204095851.db2.gz CQVZCCJSVTXPGO-UHFFFAOYSA-N 0 0 384.270 2.508 50 5 GFBARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005473804 204134207 /nfs/dbraw/zinc/13/42/07/204134207.db2.gz VPWPQFXUSSOJFI-UHFFFAOYSA-N 0 0 391.405 2.801 50 5 GFBARN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000006208024 204170941 /nfs/dbraw/zinc/17/09/41/204170941.db2.gz AXKVNZAFXNHHLR-UHFFFAOYSA-N 0 0 378.406 2.716 50 5 GFBARN Cc1cc(C)cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000006549242 204182648 /nfs/dbraw/zinc/18/26/48/204182648.db2.gz YLPDNOJPWPXLFN-UHFFFAOYSA-N 0 0 391.449 2.976 50 5 GFBARN O=C1c2cccc3ccc(O)c(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000007000864 204228965 /nfs/dbraw/zinc/22/89/65/204228965.db2.gz LAQYEZGEBRCCRY-UHFFFAOYSA-N 0 0 395.283 2.952 50 5 GFBARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000007007351 204229702 /nfs/dbraw/zinc/22/97/02/204229702.db2.gz FNQRLKPUYRCISF-UHFFFAOYSA-N 0 0 376.365 2.987 50 5 GFBARN Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)c([N+](=O)[O-])n1 ZINC000007186288 204235570 /nfs/dbraw/zinc/23/55/70/204235570.db2.gz UBUMMYRVIGEWKC-UHFFFAOYSA-N 0 0 378.410 2.660 50 5 GFBARN Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009257545 204304177 /nfs/dbraw/zinc/30/41/77/204304177.db2.gz FFTQPYQDYMUESF-LBPRGKRZSA-N 0 0 384.421 2.998 50 5 GFBARN O=C1NC(=S)NC1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000009296682 204306328 /nfs/dbraw/zinc/30/63/28/204306328.db2.gz HUFKRHZQKCUAPG-KPKJPENVSA-N 0 0 386.345 2.641 50 5 GFBARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000009510630 204314278 /nfs/dbraw/zinc/31/42/78/204314278.db2.gz YEIKDHAJMBIMFN-UHFFFAOYSA-N 0 0 376.350 2.977 50 5 GFBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000010060071 204330545 /nfs/dbraw/zinc/33/05/45/204330545.db2.gz ICKPGJREGDSDOJ-UHFFFAOYSA-N 0 0 377.309 2.781 50 5 GFBARN O=c1[nH]nc(-c2cccs2)c2c1Nc1nnnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000010297653 204333147 /nfs/dbraw/zinc/33/31/47/204333147.db2.gz DZCUHGCDKCKPKJ-CQSZACIVSA-N 0 0 394.376 2.500 50 5 GFBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000012527675 204419045 /nfs/dbraw/zinc/41/90/45/204419045.db2.gz DCQZJFFQSIYWOF-UHFFFAOYSA-N 0 0 395.423 2.977 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012985545 204474546 /nfs/dbraw/zinc/47/45/46/204474546.db2.gz XKBQLDCXDGYHIL-UHFFFAOYSA-N 0 0 383.404 2.851 50 5 GFBARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036398364 205016393 /nfs/dbraw/zinc/01/63/93/205016393.db2.gz ZTGCTSCMHZWFIH-UHFFFAOYSA-N 0 0 379.376 2.959 50 5 GFBARN O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040082502 205049405 /nfs/dbraw/zinc/04/94/05/205049405.db2.gz MVTCDLFHAHTZOE-UHFFFAOYSA-N 0 0 379.372 2.939 50 5 GFBARN O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000046857049 205107934 /nfs/dbraw/zinc/10/79/34/205107934.db2.gz RBFGXFNFMSHKTK-YOEHRIQHSA-N 0 0 376.409 2.698 50 5 GFBARN Cc1c(CS(=O)(=O)CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000048717040 205124494 /nfs/dbraw/zinc/12/44/94/205124494.db2.gz XORSEDBNYNGPTN-MAUKXSAKSA-N 0 0 394.493 2.999 50 5 GFBARN CN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000058226357 205169871 /nfs/dbraw/zinc/16/98/71/205169871.db2.gz SHICHWORFSIKTH-OAHLLOKOSA-N 0 0 397.497 2.775 50 5 GFBARN O=C(NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)c1ccc(F)cc1 ZINC000026649259 206002316 /nfs/dbraw/zinc/00/23/16/206002316.db2.gz OBNKNZHBRAQXGU-UHFFFAOYSA-N 0 0 397.410 2.936 50 5 GFBARN COc1ccc2[nH]c([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000225548023 206056451 /nfs/dbraw/zinc/05/64/51/206056451.db2.gz ICVJMFOWXISUSV-NSHDSACASA-N 0 0 390.421 2.828 50 5 GFBARN COC(=O)c1ccccc1C(=O)c1ccc(N2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000029411322 206060714 /nfs/dbraw/zinc/06/07/14/206060714.db2.gz RIXVFGRAOQYHLN-CYBMUJFWSA-N 0 0 384.388 2.838 50 5 GFBARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004895866 136194170 /nfs/dbraw/zinc/19/41/70/136194170.db2.gz TXDRISCFHMEFNF-UHFFFAOYSA-N 0 0 384.392 2.642 50 5 GFBARN CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000005375464 136194775 /nfs/dbraw/zinc/19/47/75/136194775.db2.gz INZRPALZVLKOOY-UHFFFAOYSA-N 0 0 375.406 2.559 50 5 GFBARN CC(C)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000012527896 136200425 /nfs/dbraw/zinc/20/04/25/136200425.db2.gz OBKURVYJDHBWKL-UHFFFAOYSA-N 0 0 396.447 2.780 50 5 GFBARN O=C(NCc1cccnc1-n1cccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000024793292 221617714 /nfs/dbraw/zinc/61/77/14/221617714.db2.gz DNHVJTBRYYPAIC-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN Cc1csc2nc(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc(=O)n12 ZINC000025176201 526455065 /nfs/dbraw/zinc/45/50/65/526455065.db2.gz KBKPHJYMZOOALM-UHFFFAOYSA-N 0 0 379.781 2.983 50 5 GFBARN COc1ccc(CN(C)C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1F ZINC000024705619 570279612 /nfs/dbraw/zinc/27/96/12/570279612.db2.gz VBLBLKNMDJXGNN-UHFFFAOYSA-N 0 0 390.367 2.866 50 5 GFBARN CCn1c2ccccc2n(CC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000012927647 570297849 /nfs/dbraw/zinc/29/78/49/570297849.db2.gz LDWGILHNPZFFFJ-AWEZNQCLSA-N 0 0 382.420 2.951 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O ZINC000000797419 570331738 /nfs/dbraw/zinc/33/17/38/570331738.db2.gz GVQZMFQVGXLVFT-UHFFFAOYSA-N 0 0 389.593 2.860 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023761099 570332363 /nfs/dbraw/zinc/33/23/63/570332363.db2.gz PWHBXAPPPRJLCW-UHFFFAOYSA-N 0 0 380.326 2.971 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000005064939 570409083 /nfs/dbraw/zinc/40/90/83/570409083.db2.gz DTQBSOQGHXJVIF-KRWDZBQOSA-N 0 0 382.445 2.704 50 5 GFBARN CC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026843811 570439414 /nfs/dbraw/zinc/43/94/14/570439414.db2.gz DXLMGDYNMSMSAX-KRWDZBQOSA-N 0 0 389.477 2.710 50 5 GFBARN CCc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000089286402 570439819 /nfs/dbraw/zinc/43/98/19/570439819.db2.gz UWCALYQTIGKRLQ-UHFFFAOYSA-N 0 0 392.433 2.970 50 5 GFBARN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000016629000 570455384 /nfs/dbraw/zinc/45/53/84/570455384.db2.gz FEKFYGDXKBISJF-CYBMUJFWSA-N 0 0 391.811 2.959 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc([N+](=O)[O-])c1 ZINC000006601826 570491041 /nfs/dbraw/zinc/49/10/41/570491041.db2.gz YZBAAUCCJMHHHQ-UHFFFAOYSA-N 0 0 386.316 2.565 50 5 GFBARN O=C(CCc1nnc(-c2ccccc2)o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000024320823 570507723 /nfs/dbraw/zinc/50/77/23/570507723.db2.gz RVUAERDLMBEFJS-UHFFFAOYSA-N 0 0 381.392 2.806 50 5 GFBARN Nc1nc(COC(=O)/C=C/c2ccccc2[N+](=O)[O-])nc(Nc2ccccc2)n1 ZINC000005259636 570528304 /nfs/dbraw/zinc/52/83/04/570528304.db2.gz ATLHHKIYLRPSIS-ZHACJKMWSA-N 0 0 392.375 2.862 50 5 GFBARN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000000907560 570724624 /nfs/dbraw/zinc/72/46/24/570724624.db2.gz UIGZHACJQFVULZ-UHFFFAOYSA-N 0 0 384.421 2.999 50 5 GFBARN Cc1cccc2c1NC1(CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC1)NC2=O ZINC000034811891 570801462 /nfs/dbraw/zinc/80/14/62/570801462.db2.gz XUNFBGCGJCKPQG-UHFFFAOYSA-N 0 0 380.404 2.691 50 5 GFBARN CC[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)CCO1 ZINC000023190164 570945990 /nfs/dbraw/zinc/94/59/90/570945990.db2.gz BVNNLFXRALDHOQ-BBRMVZONSA-N 0 0 397.859 2.640 50 5 GFBARN CC1=Nc2nnnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC1CCCCC1 ZINC000001291789 570955987 /nfs/dbraw/zinc/95/59/87/570955987.db2.gz CPEVBMFHRWYMIF-INIZCTEOSA-N 0 0 384.396 2.746 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000007594466 570961477 /nfs/dbraw/zinc/96/14/77/570961477.db2.gz GDJZNJIWVPWKNG-UHFFFAOYSA-N 0 0 394.343 2.965 50 5 GFBARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012771157 571025254 /nfs/dbraw/zinc/02/52/54/571025254.db2.gz VCBLBYKNWDKBDW-UHFFFAOYSA-N 0 0 395.824 2.941 50 5 GFBARN Cn1c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c([N+](=O)[O-])ccc23)cc2ccccc21 ZINC000409413980 231203544 /nfs/dbraw/zinc/20/35/44/231203544.db2.gz XYBWITGTGQNMRH-DZGCQCFKSA-N 0 0 392.415 2.508 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc([N+](=O)[O-])cc1C)C[C@@H](C)CC2 ZINC000000649913 203845356 /nfs/dbraw/zinc/84/53/56/203845356.db2.gz CAVWZRBKLFQUND-VIFPVBQESA-N 0 0 392.437 2.711 50 5 GFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccccc2)CC1 ZINC000000887163 203862231 /nfs/dbraw/zinc/86/22/31/203862231.db2.gz GMVASQNJNBIEGP-UHFFFAOYSA-N 0 0 379.372 2.664 50 5 GFBARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000000956287 203867612 /nfs/dbraw/zinc/86/76/12/203867612.db2.gz KHDXAMQFHOMKNU-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)CC(=O)Nc1ccccc1 ZINC000003260093 203993661 /nfs/dbraw/zinc/99/36/61/203993661.db2.gz KXPOSNPPIXGRMI-LJQANCHMSA-N 0 0 382.376 2.880 50 5 GFBARN C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000004291502 204036846 /nfs/dbraw/zinc/03/68/46/204036846.db2.gz CSQSOQBBFNJRCC-HOCLYGCPSA-N 0 0 395.481 2.539 50 5 GFBARN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000004291501 204036910 /nfs/dbraw/zinc/03/69/10/204036910.db2.gz CSQSOQBBFNJRCC-ZBFHGGJFSA-N 0 0 395.481 2.539 50 5 GFBARN CC(C)(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O ZINC000003395616 204004046 /nfs/dbraw/zinc/00/40/46/204004046.db2.gz WXQYQNNUWZECQN-RAXLEYEMSA-N 0 0 377.422 2.793 50 5 GFBARN C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003418893 204004837 /nfs/dbraw/zinc/00/48/37/204004837.db2.gz NKKPKLFGSWHKAS-JTQLQIEISA-N 0 0 378.768 2.925 50 5 GFBARN Cc1nn(CC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c(C)c1[N+](=O)[O-] ZINC000003409531 204005271 /nfs/dbraw/zinc/00/52/71/204005271.db2.gz OKLQKBSMIUEXKO-UHFFFAOYSA-N 0 0 397.387 2.747 50 5 GFBARN Cc1ccsc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004840113 204080429 /nfs/dbraw/zinc/08/04/29/204080429.db2.gz YYXIHAJBWYUHTG-OAHLLOKOSA-N 0 0 394.474 2.794 50 5 GFBARN COc1ccc(CCNC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000004873938 204084901 /nfs/dbraw/zinc/08/49/01/204084901.db2.gz JIMILSKFUAWYCM-UHFFFAOYSA-N 0 0 390.440 2.564 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)OCCSCCOCCOCCSCCO2 ZINC000004566363 204054921 /nfs/dbraw/zinc/05/49/21/204054921.db2.gz VWGRDJJIZSOONB-UHFFFAOYSA-N 0 0 389.495 2.866 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2cc3c(cc2C1)OCCCO3 ZINC000005349192 204128256 /nfs/dbraw/zinc/12/82/56/204128256.db2.gz JHEXNSPVUOJFHC-UHFFFAOYSA-N 0 0 390.417 2.503 50 5 GFBARN COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005027930 204104482 /nfs/dbraw/zinc/10/44/82/204104482.db2.gz LPKYBHHNUQGQLC-UHFFFAOYSA-N 0 0 378.406 2.981 50 5 GFBARN COc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC000005746857 204149743 /nfs/dbraw/zinc/14/97/43/204149743.db2.gz BHWUZXUSSHXEHW-UHFFFAOYSA-N 0 0 380.740 2.758 50 5 GFBARN CCOC(=O)C1=C(NNc2ccc([N+](=O)[O-])cc2)C(=O)N(C2CCCCC2)C1 ZINC000005952730 204159344 /nfs/dbraw/zinc/15/93/44/204159344.db2.gz UGCOEEUEHRPEIZ-UHFFFAOYSA-N 0 0 388.424 2.503 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006046376 204163010 /nfs/dbraw/zinc/16/30/10/204163010.db2.gz WXEBHWHYQHSBSV-QGZVFWFLSA-N 0 0 396.359 2.590 50 5 GFBARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005523329 204137492 /nfs/dbraw/zinc/13/74/92/204137492.db2.gz NSJLRNHCOQREEG-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN O=C(C[C@H]1OC(=O)c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005688675 204145596 /nfs/dbraw/zinc/14/55/96/204145596.db2.gz QQDIECAHRLASPF-GOSISDBHSA-N 0 0 381.388 2.545 50 5 GFBARN O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006251612 204172558 /nfs/dbraw/zinc/17/25/58/204172558.db2.gz QCYFBPSYJCFFBP-DUXPYHPUSA-N 0 0 385.328 2.947 50 5 GFBARN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)NCCc1ccc(Cl)cc1 ZINC000006322015 204174906 /nfs/dbraw/zinc/17/49/06/204174906.db2.gz UXSNMGTYHXAAEB-UHFFFAOYSA-N 0 0 386.795 2.929 50 5 GFBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000006505935 204181433 /nfs/dbraw/zinc/18/14/33/204181433.db2.gz AGPQMTURBYJIHS-NTEUORMPSA-N 0 0 384.804 2.927 50 5 GFBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1[C@]1(O)c2cc(Cl)ccc2NC1=O ZINC000007737608 204249270 /nfs/dbraw/zinc/24/92/70/204249270.db2.gz GIVHHVTUSIDXJU-GOSISDBHSA-N 0 0 399.794 2.513 50 5 GFBARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 ZINC000008782340 204289485 /nfs/dbraw/zinc/28/94/85/204289485.db2.gz UJHFKPGMBSCNOP-LBPRGKRZSA-N 0 0 385.376 2.604 50 5 GFBARN CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008923468 204293780 /nfs/dbraw/zinc/29/37/80/204293780.db2.gz XZWRHGHNUCKYNN-UHFFFAOYSA-N 0 0 386.433 2.660 50 5 GFBARN CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000010856121 204339190 /nfs/dbraw/zinc/33/91/90/204339190.db2.gz LQYHZYFAEKIFGW-LLVKDONJSA-N 0 0 383.364 2.543 50 5 GFBARN CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C ZINC000009668679 204319940 /nfs/dbraw/zinc/31/99/40/204319940.db2.gz RHSIFMGSQCQZFE-UHFFFAOYSA-N 0 0 377.422 2.844 50 5 GFBARN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@@H]2c1cccs1 ZINC000036705610 204325339 /nfs/dbraw/zinc/32/53/39/204325339.db2.gz WSJKCHLPCVKBGU-MRVPVSSYSA-N 0 0 387.377 2.709 50 5 GFBARN CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000010856116 204338993 /nfs/dbraw/zinc/33/89/93/204338993.db2.gz LQYHZYFAEKIFGW-NSHDSACASA-N 0 0 383.364 2.543 50 5 GFBARN Cn1ccnc1[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000009154135 204300686 /nfs/dbraw/zinc/30/06/86/204300686.db2.gz MVIBTAFDJYIGBS-SFHVURJKSA-N 0 0 384.367 2.752 50 5 GFBARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000011083119 204341239 /nfs/dbraw/zinc/34/12/39/204341239.db2.gz DKHIDWUVRSYCOI-UHFFFAOYSA-N 0 0 380.404 2.877 50 5 GFBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1OC ZINC000012371203 204402704 /nfs/dbraw/zinc/40/27/04/204402704.db2.gz KXQUBKNSFYLVQK-UHFFFAOYSA-N 0 0 377.309 2.781 50 5 GFBARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000012413641 204406962 /nfs/dbraw/zinc/40/69/62/204406962.db2.gz OZSLUUQIBADTBR-VIFPVBQESA-N 0 0 394.409 2.740 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)N1CCC[C@H]1c1cccs1 ZINC000024600691 204822365 /nfs/dbraw/zinc/82/23/65/204822365.db2.gz ZBYANFVEFLDNGS-AWEZNQCLSA-N 0 0 390.417 2.942 50 5 GFBARN CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1=O ZINC000037521730 205027464 /nfs/dbraw/zinc/02/74/64/205027464.db2.gz XLBZZEAKSZAQAX-AWEZNQCLSA-N 0 0 383.404 2.871 50 5 GFBARN O=C(NCc1ccco1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000000862629 205698741 /nfs/dbraw/zinc/69/87/41/205698741.db2.gz BOQDWBVBFFKMDF-LFIBNONCSA-N 0 0 381.344 2.868 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1ncc(=O)c2ccccc21 ZINC000052938285 205804786 /nfs/dbraw/zinc/80/47/86/205804786.db2.gz GODAFHFSOCTZTD-AWEZNQCLSA-N 0 0 380.404 2.914 50 5 GFBARN CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000030530156 206074832 /nfs/dbraw/zinc/07/48/32/206074832.db2.gz DYIWTZXWJWPCMG-UHFFFAOYSA-N 0 0 375.406 2.613 50 5 GFBARN CCOC(=O)[C@H]1C(=CCl)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000227144194 206099612 /nfs/dbraw/zinc/09/96/12/206099612.db2.gz AXKBUKCGIZQYPM-VGAQJYNHSA-N 0 0 394.811 2.988 50 5 GFBARN COc1ccc(NC(=O)CSc2nncn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000006621662 220945821 /nfs/dbraw/zinc/94/58/21/220945821.db2.gz SHLBPENXCYJRGI-UHFFFAOYSA-N 0 0 385.405 2.915 50 5 GFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438496 136194881 /nfs/dbraw/zinc/19/48/81/136194881.db2.gz FORYWLFZWYWJHJ-UHFFFAOYSA-N 0 0 393.396 2.916 50 5 GFBARN Nc1nc(CN2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000014323188 136201585 /nfs/dbraw/zinc/20/15/85/136201585.db2.gz GSBKRTSUJKKLKV-UHFFFAOYSA-N 0 0 382.399 2.582 50 5 GFBARN CCOc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OCC ZINC000001074863 551091813 /nfs/dbraw/zinc/09/18/13/551091813.db2.gz ZICZTLFBKFRORI-SMDDNHRTSA-N 0 0 387.230 2.843 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000001068829 551091831 /nfs/dbraw/zinc/09/18/31/551091831.db2.gz ACEQBHFVHBMCFK-MRVPVSSYSA-N 0 0 397.185 2.791 50 5 GFBARN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 ZINC000000712681 570299648 /nfs/dbraw/zinc/29/96/48/570299648.db2.gz NDPKFDOUHFAUMO-GZNWPSJOSA-N 0 0 386.404 2.949 50 5 GFBARN COCCOc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC ZINC000024936222 570357035 /nfs/dbraw/zinc/35/70/35/570357035.db2.gz KNQZDBZIFAYAOJ-UHFFFAOYSA-N 0 0 376.365 2.646 50 5 GFBARN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000013001399 570414949 /nfs/dbraw/zinc/41/49/49/570414949.db2.gz CXAGUHKVKVQVLX-TWSLPJAOSA-N 0 0 397.431 2.664 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000013015768 570418564 /nfs/dbraw/zinc/41/85/64/570418564.db2.gz PRLZEXRPNAYWCB-UHFFFAOYSA-N 0 0 399.432 2.664 50 5 GFBARN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000026775757 570437253 /nfs/dbraw/zinc/43/72/53/570437253.db2.gz GWOMOWKSFCVWSF-UHFFFAOYSA-N 0 0 385.346 2.549 50 5 GFBARN CC(=O)Oc1cc(O)c(C(=O)CCc2ccc([N+](=O)[O-])cc2)c(OC(C)=O)c1 ZINC000003122417 570680343 /nfs/dbraw/zinc/68/03/43/570680343.db2.gz ZSKFDHUDQDCAHB-UHFFFAOYSA-N 0 0 387.344 2.967 50 5 GFBARN CCOC(=O)c1cc(C(=O)N(CCOC)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000025094642 570724229 /nfs/dbraw/zinc/72/42/29/570724229.db2.gz XVMDRPFPZUTBBJ-UHFFFAOYSA-N 0 0 376.365 2.653 50 5 GFBARN CC[C@H]1CCc2c(sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C(=O)OC)C1 ZINC000000908846 570724234 /nfs/dbraw/zinc/72/42/34/570724234.db2.gz SKZGKANLECYVPP-JTQLQIEISA-N 0 0 392.437 2.793 50 5 GFBARN CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 ZINC000001135516 570756323 /nfs/dbraw/zinc/75/63/23/570756323.db2.gz OQMLDUCAMSYEKU-UHFFFAOYSA-N 0 0 384.421 2.999 50 5 GFBARN COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 ZINC000001139759 570756737 /nfs/dbraw/zinc/75/67/37/570756737.db2.gz XVUCESRFGYKHHF-FLIBITNWSA-N 0 0 395.165 2.894 50 5 GFBARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000014074863 570818579 /nfs/dbraw/zinc/81/85/79/570818579.db2.gz BCDMXPUHMVHPMP-OKILXGFUSA-N 0 0 375.425 2.890 50 5 GFBARN Nc1c([N+](=O)[O-])cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000102095225 570840849 /nfs/dbraw/zinc/84/08/49/570840849.db2.gz ZUHCIDPEWHVXPB-UHFFFAOYSA-N 0 0 381.688 2.899 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016733903 570908256 /nfs/dbraw/zinc/90/82/56/570908256.db2.gz YPMMXAHAYNLXAE-LBPRGKRZSA-N 0 0 378.406 2.748 50 5 GFBARN Cn1cc([N+](=O)[O-])c(-c2ccn3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)n1 ZINC000013961204 570910329 /nfs/dbraw/zinc/91/03/29/570910329.db2.gz PFJAZHZDLISSLT-UHFFFAOYSA-N 0 0 397.782 2.944 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000016753938 570933029 /nfs/dbraw/zinc/93/30/29/570933029.db2.gz ZITWSRVTNCJLQD-HNNXBMFYSA-N 0 0 392.408 2.563 50 5 GFBARN CCCN(C(=O)OC(C)C)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025668731 570949743 /nfs/dbraw/zinc/94/97/43/570949743.db2.gz YPCAWMAYEDVHLM-UHFFFAOYSA-N 0 0 389.386 2.668 50 5 GFBARN COC(=O)c1cc(C(=O)OCc2cc(OC)ccc2OC)cc([N+](=O)[O-])c1 ZINC000007743136 571030511 /nfs/dbraw/zinc/03/05/11/571030511.db2.gz NOUWWKDDASTFNK-UHFFFAOYSA-N 0 0 375.333 2.756 50 5 GFBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000002784468 203962030 /nfs/dbraw/zinc/96/20/30/203962030.db2.gz QGPUZWLBFFCKBY-SECBINFHSA-N 0 0 380.426 2.921 50 5 GFBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000002796300 203963420 /nfs/dbraw/zinc/96/34/20/203963420.db2.gz LHEKJNWQNPZQLI-UHFFFAOYSA-N 0 0 393.403 2.808 50 5 GFBARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000003441909 204007694 /nfs/dbraw/zinc/00/76/94/204007694.db2.gz FRAQNCUCSHJTRZ-GFCCVEGCSA-N 0 0 386.360 2.990 50 5 GFBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003465797 204008973 /nfs/dbraw/zinc/00/89/73/204008973.db2.gz JEROLNVYRVSADA-UHFFFAOYSA-N 0 0 390.812 2.955 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccncc1 ZINC000004126339 204028736 /nfs/dbraw/zinc/02/87/36/204028736.db2.gz OUVBMDSPBFJLNL-OAHLLOKOSA-N 0 0 380.282 2.599 50 5 GFBARN CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004703591 204066597 /nfs/dbraw/zinc/06/65/97/204066597.db2.gz YMZBNNIHULFXRQ-UHFFFAOYSA-N 0 0 390.465 2.538 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000004703630 204067141 /nfs/dbraw/zinc/06/71/41/204067141.db2.gz HVRDEHSFHXPOPI-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN CN1C2=C(C(=O)N(CCc3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004752146 204073673 /nfs/dbraw/zinc/07/36/73/204073673.db2.gz VWYUVSKGJABZRZ-IBGZPJMESA-N 0 0 392.415 2.630 50 5 GFBARN CCOC(=O)C(CC)(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000004844074 204081902 /nfs/dbraw/zinc/08/19/02/204081902.db2.gz PKSLQJXUBLGEAF-UHFFFAOYSA-N 0 0 380.397 2.836 50 5 GFBARN COC(=O)c1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000004881559 204085797 /nfs/dbraw/zinc/08/57/97/204085797.db2.gz QGNOQKLJVYRWSI-UHFFFAOYSA-N 0 0 383.242 2.636 50 5 GFBARN COc1ccc(CCN(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000004906122 204090365 /nfs/dbraw/zinc/09/03/65/204090365.db2.gz FMORPUIUZAAUOO-UHFFFAOYSA-N 0 0 394.449 2.694 50 5 GFBARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004615437 204058548 /nfs/dbraw/zinc/05/85/48/204058548.db2.gz IQLZSWDXTDJRRD-UHFFFAOYSA-N 0 0 384.421 2.918 50 5 GFBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004687541 204064485 /nfs/dbraw/zinc/06/44/85/204064485.db2.gz AHPUDEPNDCYBTA-UHFFFAOYSA-N 0 0 385.464 2.986 50 5 GFBARN Cc1noc(C)c1CSCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005899489 204156125 /nfs/dbraw/zinc/15/61/25/204156125.db2.gz AWMUIYIYACWLBX-UHFFFAOYSA-N 0 0 390.465 2.782 50 5 GFBARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006050410 204162884 /nfs/dbraw/zinc/16/28/84/204162884.db2.gz BCYZDWWYQPTHKC-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccccc2O)CC1 ZINC000006397787 204177284 /nfs/dbraw/zinc/17/72/84/204177284.db2.gz SPGHFAYVUJYRKO-UHFFFAOYSA-N 0 0 388.449 2.828 50 5 GFBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000006431721 204179104 /nfs/dbraw/zinc/17/91/04/204179104.db2.gz PYBACOQDAVFFJW-FQEVSTJZSA-N 0 0 396.403 2.781 50 5 GFBARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000006542623 204183178 /nfs/dbraw/zinc/18/31/78/204183178.db2.gz IFGKUWXIPZOIAX-UHFFFAOYSA-N 0 0 380.378 2.818 50 5 GFBARN CCc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000006587797 204184765 /nfs/dbraw/zinc/18/47/65/204184765.db2.gz NPXPBYFROOKHRC-UHFFFAOYSA-N 0 0 391.449 2.922 50 5 GFBARN CCN1C[C@H](CN(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000007257302 204237015 /nfs/dbraw/zinc/23/70/15/204237015.db2.gz RTOCRBGBXXAERB-HNNXBMFYSA-N 0 0 384.436 2.996 50 5 GFBARN CNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000007363367 204239739 /nfs/dbraw/zinc/23/97/39/204239739.db2.gz DJQQHENTEOHCCM-UHFFFAOYSA-N 0 0 375.362 2.544 50 5 GFBARN Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000007977408 204256503 /nfs/dbraw/zinc/25/65/03/204256503.db2.gz REZMVTGJIZPBNO-UHFFFAOYSA-N 0 0 376.340 2.993 50 5 GFBARN O=c1c2cc3c(cc2nc2sc(Nc4cccc([N+](=O)[O-])c4)nn21)OCO3 ZINC000008600159 204280873 /nfs/dbraw/zinc/28/08/73/204280873.db2.gz JIKFWHVSQLZSMH-UHFFFAOYSA-N 0 0 383.345 2.685 50 5 GFBARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C)cc1 ZINC000008638370 204282668 /nfs/dbraw/zinc/28/26/68/204282668.db2.gz XNJQWDNXWPRUGX-CYBMUJFWSA-N 0 0 382.376 2.699 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000012778083 204447197 /nfs/dbraw/zinc/44/71/97/204447197.db2.gz BYOPMZXDCGPQDO-ZDUSSCGKSA-N 0 0 388.399 2.753 50 5 GFBARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c([N+](=O)[O-])c1 ZINC000015919231 204584697 /nfs/dbraw/zinc/58/46/97/204584697.db2.gz VJCFQUJVJCHNHY-UHFFFAOYSA-N 0 0 386.393 2.514 50 5 GFBARN O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000040080561 204869696 /nfs/dbraw/zinc/86/96/96/204869696.db2.gz YRUNDBCDVCTLEO-UHFFFAOYSA-N 0 0 393.749 2.779 50 5 GFBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1Cc1ccccn1 ZINC000036125589 205007069 /nfs/dbraw/zinc/00/70/69/205007069.db2.gz OYLSSVAVFNUWTR-UHFFFAOYSA-N 0 0 381.395 2.539 50 5 GFBARN Cc1c(CS(=O)(=O)CC(=O)N2CCC[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000048717039 205124444 /nfs/dbraw/zinc/12/44/44/205124444.db2.gz XORSEDBNYNGPTN-CRAIPNDOSA-N 0 0 394.493 2.999 50 5 GFBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(n2cncn2)CC1 ZINC000060293909 205180159 /nfs/dbraw/zinc/18/01/59/205180159.db2.gz RQKDTCCYQRHPGP-UHFFFAOYSA-N 0 0 387.443 2.610 50 5 GFBARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000045797389 205663358 /nfs/dbraw/zinc/66/33/58/205663358.db2.gz WWFFNHLBOQLSNS-UHFFFAOYSA-N 0 0 391.449 2.612 50 5 GFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NC(=O)Nc1ccccc1F ZINC000006053526 205774873 /nfs/dbraw/zinc/77/48/73/205774873.db2.gz CAGJBGMLCBEJNU-JXMROGBWSA-N 0 0 387.323 2.639 50 5 GFBARN COC(=O)c1ccc(NCCNC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000225546395 206057730 /nfs/dbraw/zinc/05/77/30/206057730.db2.gz BEYWIODYEYAQDU-UHFFFAOYSA-N 0 0 377.784 2.877 50 5 GFBARN Cc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000032930492 206095878 /nfs/dbraw/zinc/09/58/78/206095878.db2.gz SAROPFCBAQRBIZ-VXGBXAGGSA-N 0 0 390.465 2.903 50 5 GFBARN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815989 206128217 /nfs/dbraw/zinc/12/82/17/206128217.db2.gz SESCUVTUTUHSEW-CZUORRHYSA-N 0 0 390.831 2.519 50 5 GFBARN CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000001062396 551091426 /nfs/dbraw/zinc/09/14/26/551091426.db2.gz ZFFUUAQYFAIOLI-UHFFFAOYSA-N 0 0 383.813 2.799 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl ZINC000003321001 551092973 /nfs/dbraw/zinc/09/29/73/551092973.db2.gz QFHUFTSILMGETD-ZDUSSCGKSA-N 0 0 377.180 2.669 50 5 GFBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C ZINC000006044494 570221482 /nfs/dbraw/zinc/22/14/82/570221482.db2.gz YCNUBWQYMLHBCH-UHFFFAOYSA-N 0 0 391.449 2.976 50 5 GFBARN O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCC3 ZINC000000952406 570231464 /nfs/dbraw/zinc/23/14/64/570231464.db2.gz XTNMKCPXZCMVQE-UHFFFAOYSA-N 0 0 378.457 2.783 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)CCCC2 ZINC000000649918 570279054 /nfs/dbraw/zinc/27/90/54/570279054.db2.gz UQVCHFFSJWJUBI-UHFFFAOYSA-N 0 0 392.437 2.774 50 5 GFBARN Cn1c(/C=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c(=O)n(C)c1=O ZINC000015921942 570292344 /nfs/dbraw/zinc/29/23/44/570292344.db2.gz ZQTLITMNSKCYPL-VAWYXSNFSA-N 0 0 379.372 2.955 50 5 GFBARN C[C@H](OC(=O)c1cnc2ccccc2n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024866399 570319485 /nfs/dbraw/zinc/31/94/85/570319485.db2.gz IIACOFLQNVGZCO-JTQLQIEISA-N 0 0 384.323 2.861 50 5 GFBARN CC(C)C(=O)Nc1cccc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 ZINC000024211747 570479302 /nfs/dbraw/zinc/47/93/02/570479302.db2.gz KKXVHMCECOVZNW-UHFFFAOYSA-N 0 0 381.392 2.809 50 5 GFBARN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1C ZINC000006599641 570489662 /nfs/dbraw/zinc/48/96/62/570489662.db2.gz ITYGLLAMXZBAJT-UHFFFAOYSA-N 0 0 380.338 2.697 50 5 GFBARN O=c1c([N+](=O)[O-])c(N2CC(c3nc4ccccc4s3)C2)nc2ccccn21 ZINC000079102889 570510017 /nfs/dbraw/zinc/51/00/17/570510017.db2.gz AFEYBDBQBNRMLN-UHFFFAOYSA-N 0 0 379.401 2.816 50 5 GFBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000022986403 570614600 /nfs/dbraw/zinc/61/46/00/570614600.db2.gz OUXZPSFHNHAJAU-UHFFFAOYSA-N 0 0 387.440 2.594 50 5 GFBARN COc1ccc(NC(=O)CNc2ccc(F)c(NC(C)=O)c2)c([N+](=O)[O-])c1 ZINC000024362672 570719098 /nfs/dbraw/zinc/71/90/98/570719098.db2.gz RNHBXGSPBZZIDV-UHFFFAOYSA-N 0 0 376.344 2.752 50 5 GFBARN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000001063083 570749410 /nfs/dbraw/zinc/74/94/10/570749410.db2.gz QSMALNVOJYSRKG-UHFFFAOYSA-N 0 0 391.449 2.861 50 5 GFBARN C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C)C12CC3CC(CC(C3)C1)C2 ZINC000021839880 570750085 /nfs/dbraw/zinc/75/00/85/570750085.db2.gz QBVJJJQVLODMSG-PGBBXINNSA-N 0 0 389.452 2.811 50 5 GFBARN Cc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000001112573 570753890 /nfs/dbraw/zinc/75/38/90/570753890.db2.gz KWBMPWBQCODCFB-UHFFFAOYSA-N 0 0 377.422 2.616 50 5 GFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000025492885 570754362 /nfs/dbraw/zinc/75/43/62/570754362.db2.gz VPDGOHBNUUIDML-LBPRGKRZSA-N 0 0 380.412 2.737 50 5 GFBARN CSc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000001137239 570756583 /nfs/dbraw/zinc/75/65/83/570756583.db2.gz KZVGKHKLUFAXPT-UHFFFAOYSA-N 0 0 395.462 2.721 50 5 GFBARN CCOC(=O)c1s/c(=N/C(=O)/C=C/c2ccc([N+](=O)[O-])s2)n(C)c1C ZINC000100838276 570776213 /nfs/dbraw/zinc/77/62/13/570776213.db2.gz NFNWNMCAPFGERK-RUQJNATLSA-N 0 0 381.435 2.682 50 5 GFBARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000001182501 570790878 /nfs/dbraw/zinc/79/08/78/570790878.db2.gz KAQDOJZWLTZSOK-UHFFFAOYSA-N 0 0 379.369 2.878 50 5 GFBARN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000025576152 570792032 /nfs/dbraw/zinc/79/20/32/570792032.db2.gz SZCYBOSVJJXBBX-HNNXBMFYSA-N 0 0 394.435 2.847 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001195946 570792454 /nfs/dbraw/zinc/79/24/54/570792454.db2.gz CEOGXSLVSMVOFA-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005860479 570797746 /nfs/dbraw/zinc/79/77/46/570797746.db2.gz DWJRAGRNLDRTME-UHFFFAOYSA-N 0 0 395.462 2.576 50 5 GFBARN CCNc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000239722308 570836613 /nfs/dbraw/zinc/83/66/13/570836613.db2.gz CCARUKSCKPYHRS-VMGRFDJRSA-N 0 0 375.425 2.973 50 5 GFBARN COc1cccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3nnnn32)c1OC ZINC000102794642 570863922 /nfs/dbraw/zinc/86/39/22/570863922.db2.gz NWDDJCBSSHXUIQ-HNNXBMFYSA-N 0 0 380.364 2.655 50 5 GFBARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019162941 570882348 /nfs/dbraw/zinc/88/23/48/570882348.db2.gz MVDLZRRQVPYMOI-RYUDHWBXSA-N 0 0 379.800 2.752 50 5 GFBARN Cc1ccc([C@](O)(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000023080928 570902051 /nfs/dbraw/zinc/90/20/51/570902051.db2.gz KVSAKWNHJVQQMC-OAHLLOKOSA-N 0 0 387.314 2.847 50 5 GFBARN COc1cc2c(cc1OC)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 ZINC000002214520 571038247 /nfs/dbraw/zinc/03/82/47/571038247.db2.gz LBEKXJGWWYHKLN-UHFFFAOYSA-N 0 0 387.348 2.719 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c1 ZINC000002816738 654438697 /nfs/dbraw/zinc/43/86/97/654438697.db2.gz FGHNRZKCFPLHQH-UHFFFAOYSA-N 0 0 376.272 2.504 50 5 GFBARN NC(=O)C1CCN(c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)CC1 ZINC000001123113 203885937 /nfs/dbraw/zinc/88/59/37/203885937.db2.gz VVFMFLFGWAIEJR-UHFFFAOYSA-N 0 0 392.415 2.805 50 5 GFBARN COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000001162508 203891783 /nfs/dbraw/zinc/89/17/83/203891783.db2.gz LSPFBSAQWONNRY-QGZVFWFLSA-N 0 0 376.752 2.670 50 5 GFBARN CCOc1ccc(-n2nnnc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002305299 203936423 /nfs/dbraw/zinc/93/64/23/203936423.db2.gz QZLVBYPUHXAUSI-UHFFFAOYSA-N 0 0 385.405 2.944 50 5 GFBARN CC(=O)Oc1ccc([C@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000004753603 204073034 /nfs/dbraw/zinc/07/30/34/204073034.db2.gz IKWOCCNFHNGBJY-IBGZPJMESA-N 0 0 383.360 2.933 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])cc1C ZINC000004515958 204049716 /nfs/dbraw/zinc/04/97/16/204049716.db2.gz QPLWOEJFMZIWFA-DJJJIMSYSA-N 0 0 388.424 2.651 50 5 GFBARN CCNC(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000006510470 204181536 /nfs/dbraw/zinc/18/15/36/204181536.db2.gz OFEGTMQAHYRRQY-UHFFFAOYSA-N 0 0 381.435 2.804 50 5 GFBARN NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000006509029 204181975 /nfs/dbraw/zinc/18/19/75/204181975.db2.gz FZFHXZBALWOPJO-UHFFFAOYSA-N 0 0 392.755 2.534 50 5 GFBARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000006526611 204182638 /nfs/dbraw/zinc/18/26/38/204182638.db2.gz JESBNCXSBZDBRU-UHFFFAOYSA-N 0 0 386.433 2.876 50 5 GFBARN COCc1cc(C)nc2sc3c(nc(-c4ccccc4[N+](=O)[O-])n(N)c3=O)c21 ZINC000006659358 204189146 /nfs/dbraw/zinc/18/91/46/204189146.db2.gz XSFOJXJKCHSTAT-UHFFFAOYSA-N 0 0 397.416 2.750 50 5 GFBARN Cc1c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000006988775 204228325 /nfs/dbraw/zinc/22/83/25/204228325.db2.gz LJAVNMDECYWTAS-SFHVURJKSA-N 0 0 384.388 2.660 50 5 GFBARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)cc1 ZINC000008638371 204282568 /nfs/dbraw/zinc/28/25/68/204282568.db2.gz XNJQWDNXWPRUGX-ZDUSSCGKSA-N 0 0 382.376 2.699 50 5 GFBARN O=C(COCc1nc2ccccc2s1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000008183680 204264579 /nfs/dbraw/zinc/26/45/79/204264579.db2.gz WQRQVDRTSSGUCG-UHFFFAOYSA-N 0 0 386.433 2.949 50 5 GFBARN Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009257547 204304405 /nfs/dbraw/zinc/30/44/05/204304405.db2.gz FFTQPYQDYMUESF-GFCCVEGCSA-N 0 0 384.421 2.998 50 5 GFBARN COCC(=O)Nc1cccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000036393527 204320026 /nfs/dbraw/zinc/32/00/26/204320026.db2.gz RCAYGQORQLPLTQ-UHFFFAOYSA-N 0 0 397.391 2.558 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000018244172 204620463 /nfs/dbraw/zinc/62/04/63/204620463.db2.gz WTKQCEICXMDJAY-VXGBXAGGSA-N 0 0 377.784 2.528 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)cc([N+](=O)[O-])c1 ZINC000023972088 204814872 /nfs/dbraw/zinc/81/48/72/204814872.db2.gz OWQGGQUCELUWKX-LBPRGKRZSA-N 0 0 386.360 2.874 50 5 GFBARN COc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1[N+](=O)[O-] ZINC000024142086 204816869 /nfs/dbraw/zinc/81/68/69/204816869.db2.gz GGDYTXYHMOAOTB-UHFFFAOYSA-N 0 0 389.452 2.858 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000028137791 204868173 /nfs/dbraw/zinc/86/81/73/204868173.db2.gz JGAOMIXVKPOYEQ-UHFFFAOYSA-N 0 0 389.751 2.622 50 5 GFBARN CCOc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)c1 ZINC000037520383 205027607 /nfs/dbraw/zinc/02/76/07/205027607.db2.gz FLMRAMSAVOMXBV-CQSZACIVSA-N 0 0 383.404 2.871 50 5 GFBARN Cc1ccc(NC(=O)Cc2nc(Cn3cc([N+](=O)[O-])ccc3=O)cs2)cc1 ZINC000045540983 205097105 /nfs/dbraw/zinc/09/71/05/205097105.db2.gz CZHLSXRGMWKHPQ-UHFFFAOYSA-N 0 0 384.417 2.751 50 5 GFBARN Cc1nccn1-c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn1 ZINC000048263819 205116160 /nfs/dbraw/zinc/11/61/60/205116160.db2.gz NHFUESLHXMQLSL-UHFFFAOYSA-N 0 0 389.375 2.922 50 5 GFBARN O=C(COCc1ccccc1)NCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277897 205554526 /nfs/dbraw/zinc/55/45/26/205554526.db2.gz QRAXAYFLIKWDDY-UHFFFAOYSA-N 0 0 382.376 2.520 50 5 GFBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)C3=C2O)cc1[N+](=O)[O-] ZINC000101177173 205617712 /nfs/dbraw/zinc/61/77/12/205617712.db2.gz PYAHTQSMBFCJQY-ZBFHGGJFSA-N 0 0 385.763 2.849 50 5 GFBARN NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br ZINC000000657947 205694267 /nfs/dbraw/zinc/69/42/67/205694267.db2.gz WZQXJZNBXCXYOU-NTEUORMPSA-N 0 0 390.193 2.614 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2ccccc2F)c1=O ZINC000004326079 205744102 /nfs/dbraw/zinc/74/41/02/205744102.db2.gz ODZRYDDGUAFODY-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN Cc1nc2ccccc2nc1COC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000012810558 221234547 /nfs/dbraw/zinc/23/45/47/221234547.db2.gz SPMQJLNIWJKVSR-ZDUSSCGKSA-N 0 0 394.387 2.708 50 5 GFBARN C[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000241446933 533556787 /nfs/dbraw/zinc/55/67/87/533556787.db2.gz NPSRBIIIGJCNPA-HBUWYVDXSA-N 0 0 397.497 2.995 50 5 GFBARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000058160155 136154744 /nfs/dbraw/zinc/15/47/44/136154744.db2.gz YFCBAIFHPHTAIJ-HNNXBMFYSA-N 0 0 396.447 2.947 50 5 GFBARN Cc1c(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000005375382 136194851 /nfs/dbraw/zinc/19/48/51/136194851.db2.gz SGFJTBNZSCCMSU-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN O=c1n(CCCNc2ccc([N+](=O)[O-])cc2Br)nc2n1CCCC2 ZINC000170642766 551636313 /nfs/dbraw/zinc/63/63/13/551636313.db2.gz ZIFXMNLHEZBSST-UHFFFAOYSA-N 0 0 396.245 2.554 50 5 GFBARN CCCc1noc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000048179456 570220320 /nfs/dbraw/zinc/22/03/20/570220320.db2.gz UWSKKNGLFGBXKY-UHFFFAOYSA-N 0 0 387.440 2.602 50 5 GFBARN Cn1c2c(cn3c2c(COc2ccccc2)nc2ccccc23)c(=O)n(C)c1=O ZINC000000804795 570224400 /nfs/dbraw/zinc/22/44/00/570224400.db2.gz NHRGYCXWRZRMSL-UHFFFAOYSA-N 0 0 386.411 2.617 50 5 GFBARN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@H](C)O1 ZINC000016184011 570319047 /nfs/dbraw/zinc/31/90/47/570319047.db2.gz XNLLJNVXSYYCJK-GASCZTMLSA-N 0 0 397.497 2.773 50 5 GFBARN CC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)CC1 ZINC000023994611 570341330 /nfs/dbraw/zinc/34/13/30/570341330.db2.gz TYSLKOOQERSPMM-UHFFFAOYSA-N 0 0 397.410 2.737 50 5 GFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000000826474 570374782 /nfs/dbraw/zinc/37/47/82/570374782.db2.gz UOHJLZADVDCLMR-UHFFFAOYSA-N 0 0 375.129 2.779 50 5 GFBARN O=C(NCCCN1CCCC1=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000006507947 570460544 /nfs/dbraw/zinc/46/05/44/570460544.db2.gz MFDUWIQRVYHDJL-UHFFFAOYSA-N 0 0 388.468 2.718 50 5 GFBARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005277525 570547799 /nfs/dbraw/zinc/54/77/99/570547799.db2.gz PVMWCUQHQRUDBN-UHFFFAOYSA-N 0 0 376.735 2.680 50 5 GFBARN COc1ccc2[nH]cc(CCNC(=O)CCNc3ccc([N+](=O)[O-])cn3)c2c1 ZINC000013735618 570672880 /nfs/dbraw/zinc/67/28/80/570672880.db2.gz PBWHMDCPDHHXIB-UHFFFAOYSA-N 0 0 383.408 2.641 50 5 GFBARN COc1cccc2cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000015138834 570772553 /nfs/dbraw/zinc/77/25/53/570772553.db2.gz HAGJJKQSQPSGBV-UHFFFAOYSA-N 0 0 383.360 2.552 50 5 GFBARN [O-][n+]1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)[n+]([O-])c2ccccc21 ZINC000169713088 570784816 /nfs/dbraw/zinc/78/48/16/570784816.db2.gz SOMGZOGZBYWRNV-UHFFFAOYSA-N 0 0 380.367 2.746 50 5 GFBARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001190488 570792440 /nfs/dbraw/zinc/79/24/40/570792440.db2.gz DUSAGORBEMCOHI-GOSISDBHSA-N 0 0 397.387 2.975 50 5 GFBARN C[C@H](NS(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000034738623 570795633 /nfs/dbraw/zinc/79/56/33/570795633.db2.gz WHXRHPICPNOLJT-DOPJRALCSA-N 0 0 391.449 2.562 50 5 GFBARN CCC(=O)OCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000001214673 570795758 /nfs/dbraw/zinc/79/57/58/570795758.db2.gz IYHWODWXWIPSRD-UHFFFAOYSA-N 0 0 384.344 2.936 50 5 GFBARN COc1cc2c(cc1OC)C(=CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC2 ZINC000101323798 570819097 /nfs/dbraw/zinc/81/90/97/570819097.db2.gz KBZFLYSJENILBF-WJDWOHSUSA-N 0 0 390.417 2.530 50 5 GFBARN Cc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024573046 570900468 /nfs/dbraw/zinc/90/04/68/570900468.db2.gz KOBPUAYNEZMQJX-GFCCVEGCSA-N 0 0 377.426 2.691 50 5 GFBARN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000032932944 570946089 /nfs/dbraw/zinc/94/60/89/570946089.db2.gz NQVQVJAZTAFMOU-UHFFFAOYSA-N 0 0 378.454 2.623 50 5 GFBARN Cn1c(Sc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1ccccc1 ZINC000098086280 570991669 /nfs/dbraw/zinc/99/16/69/570991669.db2.gz DFDRXCBGLSZPKR-UHFFFAOYSA-N 0 0 396.432 2.732 50 5 GFBARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000012770662 571024738 /nfs/dbraw/zinc/02/47/38/571024738.db2.gz LQRWCFQUQXONPN-GOSISDBHSA-N 0 0 383.404 2.697 50 5 GFBARN Cc1ccc(-n2nnnc2CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000009570313 203866401 /nfs/dbraw/zinc/86/64/01/203866401.db2.gz GIIFBBQGUARKQB-UHFFFAOYSA-N 0 0 386.799 2.771 50 5 GFBARN Cc1ccc(-c2c3c(cn2-c2cccc([N+](=O)[O-])c2)n(C)c(=O)n(C)c3=O)cc1 ZINC000001316261 203901196 /nfs/dbraw/zinc/90/11/96/203901196.db2.gz WHZHDBOCNTZDKG-UHFFFAOYSA-N 0 0 390.399 2.912 50 5 GFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCCC(=O)c1ccc(F)cc1 ZINC000003416941 204005031 /nfs/dbraw/zinc/00/50/31/204005031.db2.gz UIXZXURXGYFWSK-UHFFFAOYSA-N 0 0 388.351 2.670 50 5 GFBARN COc1cccc(OC)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003529778 204011956 /nfs/dbraw/zinc/01/19/56/204011956.db2.gz ZTMYEXAJEPOWCK-UHFFFAOYSA-N 0 0 375.333 2.836 50 5 GFBARN CN(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004006180 204022173 /nfs/dbraw/zinc/02/21/73/204022173.db2.gz TUDUFOWEUWAVRR-TYUXRXASSA-N 0 0 385.464 2.998 50 5 GFBARN O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000004703958 204066323 /nfs/dbraw/zinc/06/63/23/204066323.db2.gz PIGLHOVVAZHSAF-UHFFFAOYSA-N 0 0 378.841 2.965 50 5 GFBARN O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000004741011 204072228 /nfs/dbraw/zinc/07/22/28/204072228.db2.gz MMGBWDDOYHZOCO-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004749657 204073599 /nfs/dbraw/zinc/07/35/99/204073599.db2.gz IHNUDHLIMSLRBG-HNNXBMFYSA-N 0 0 385.420 2.720 50 5 GFBARN COc1ccc(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000004866792 204084638 /nfs/dbraw/zinc/08/46/38/204084638.db2.gz CHZHDTFAVRRBJE-UHFFFAOYSA-N 0 0 379.756 2.635 50 5 GFBARN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C=C(CCO)[P@]1(=O)OCC ZINC000004877752 204085669 /nfs/dbraw/zinc/08/56/69/204085669.db2.gz CHCQSCFJKZIEQP-MHZLTWQESA-N 0 0 397.324 2.830 50 5 GFBARN O=C(COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005073203 204110204 /nfs/dbraw/zinc/11/02/04/204110204.db2.gz WNRWAZIRBKLMTK-UHFFFAOYSA-N 0 0 375.812 2.976 50 5 GFBARN COc1ccc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc1[N+](=O)[O-] ZINC000005139824 204114279 /nfs/dbraw/zinc/11/42/79/204114279.db2.gz YMTWIZREWLBPBB-UHFFFAOYSA-N 0 0 394.387 2.902 50 5 GFBARN CC1=Nc2nnnn2[C@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCc1ccccc1 ZINC000004934868 204093911 /nfs/dbraw/zinc/09/39/11/204093911.db2.gz IBWYCDCVGFTLMG-QGZVFWFLSA-N 0 0 392.375 2.614 50 5 GFBARN O=C(c1cccnc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004994041 204101153 /nfs/dbraw/zinc/10/11/53/204101153.db2.gz PJVAADUCMALXFD-UHFFFAOYSA-N 0 0 380.326 2.971 50 5 GFBARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005053393 204107295 /nfs/dbraw/zinc/10/72/95/204107295.db2.gz KLJKXVIRUYQVIO-IINYFYTJSA-N 0 0 375.406 2.807 50 5 GFBARN COc1cccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)c1 ZINC000006250199 204172087 /nfs/dbraw/zinc/17/20/87/204172087.db2.gz ZUUVVMKTYNLCQT-SFHVURJKSA-N 0 0 393.465 2.722 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009653576 204319869 /nfs/dbraw/zinc/31/98/69/204319869.db2.gz CCJBBAJFUBYRLC-UHFFFAOYSA-N 0 0 383.404 2.851 50 5 GFBARN CC(C)OC(=O)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000009932313 204327105 /nfs/dbraw/zinc/32/71/05/204327105.db2.gz VMILFVMBQYXJJS-CQSZACIVSA-N 0 0 377.441 2.903 50 5 GFBARN CN(C)c1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000010900440 204340742 /nfs/dbraw/zinc/34/07/42/204340742.db2.gz UTPVUYHQLOCUMW-UHFFFAOYSA-N 0 0 398.463 2.770 50 5 GFBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000013749110 204512044 /nfs/dbraw/zinc/51/20/44/204512044.db2.gz FTLBRRQPZNUGAT-AOOOYVTPSA-N 0 0 378.820 2.978 50 5 GFBARN C[C@@H]1CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013807314 204514835 /nfs/dbraw/zinc/51/48/35/204514835.db2.gz FNWFHUGYTWXRGK-PHIMTYICSA-N 0 0 392.847 2.846 50 5 GFBARN CCOc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 ZINC000016700017 204599118 /nfs/dbraw/zinc/59/91/18/204599118.db2.gz FFUGGXJKOSFECQ-LFIBNONCSA-N 0 0 394.412 2.673 50 5 GFBARN COc1cc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)ccc1OC(C)=O ZINC000021090770 204752826 /nfs/dbraw/zinc/75/28/26/204752826.db2.gz LVSAQOTWRPMLOE-LJQANCHMSA-N 0 0 399.359 2.768 50 5 GFBARN CC[C@H]1CN(C(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)CCO1 ZINC000023190168 204799714 /nfs/dbraw/zinc/79/97/14/204799714.db2.gz BVNNLFXRALDHOQ-XJKSGUPXSA-N 0 0 397.859 2.640 50 5 GFBARN CC[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)CCO1 ZINC000023190162 204800722 /nfs/dbraw/zinc/80/07/22/204800722.db2.gz BVNNLFXRALDHOQ-CJNGLKHVSA-N 0 0 397.859 2.640 50 5 GFBARN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000036007251 205001529 /nfs/dbraw/zinc/00/15/29/205001529.db2.gz BBVJFWCSIASLQW-UONOGXRCSA-N 0 0 377.441 2.903 50 5 GFBARN O=C1OCC[C@@H]1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000052936629 205135188 /nfs/dbraw/zinc/13/51/88/205135188.db2.gz XFFLRPSAFXWHRC-KRWDZBQOSA-N 0 0 387.461 2.756 50 5 GFBARN COc1ccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1OC ZINC000051317266 205132348 /nfs/dbraw/zinc/13/23/48/205132348.db2.gz DWPDWSSLIVNHFW-UHFFFAOYSA-N 0 0 389.411 2.795 50 5 GFBARN Cc1csc([C@@](O)(CC(=O)NCc2ccccc2[N+](=O)[O-])C(F)(F)F)n1 ZINC000058809991 205178441 /nfs/dbraw/zinc/17/84/41/205178441.db2.gz QTHHWCPYOFQUEG-AWEZNQCLSA-N 0 0 389.355 2.816 50 5 GFBARN CCCCN(CCCC)C(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)OCC ZINC000071767321 205295594 /nfs/dbraw/zinc/29/55/94/205295594.db2.gz BYLHOIMGLNEIIS-ICFOKQHNSA-N 0 0 386.474 2.944 50 5 GFBARN CC[C@H](C)n1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O ZINC000100811545 205613700 /nfs/dbraw/zinc/61/37/00/205613700.db2.gz OWMBHLIEYUBPPF-ZDUSSCGKSA-N 0 0 379.464 2.772 50 5 GFBARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000006537861 205779770 /nfs/dbraw/zinc/77/97/70/205779770.db2.gz VEVPKRUZQRIHCK-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1Cn1cccn1 ZINC000010958949 205863714 /nfs/dbraw/zinc/86/37/14/205863714.db2.gz QEYUVNDRTLMWII-UHFFFAOYSA-N 0 0 386.433 2.627 50 5 GFBARN COC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CCCCCC1 ZINC000027973050 206024533 /nfs/dbraw/zinc/02/45/33/206024533.db2.gz ARRJHOKWGKOLAG-UHFFFAOYSA-N 0 0 384.454 2.756 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(CN2CCOCC2)cc1 ZINC000029714959 206067777 /nfs/dbraw/zinc/06/77/77/206067777.db2.gz DSKMRGPUDAFNCD-CMDGGOBGSA-N 0 0 381.432 2.757 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000033187449 206096602 /nfs/dbraw/zinc/09/66/02/206096602.db2.gz YBHZQJBSFOJASH-UHFFFAOYSA-N 0 0 397.309 2.805 50 5 GFBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187963 221098906 /nfs/dbraw/zinc/09/89/06/221098906.db2.gz ARWBRDYLTUCDRW-UHFFFAOYSA-N 0 0 393.355 2.786 50 5 GFBARN Cc1c(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cccc1[N+](=O)[O-] ZINC000005136716 136194529 /nfs/dbraw/zinc/19/45/29/136194529.db2.gz CZFDQQWQHBONTM-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000008719695 136195553 /nfs/dbraw/zinc/19/55/53/136195553.db2.gz ZAKMHJSKBXRPJM-INIZCTEOSA-N 0 0 398.463 2.890 50 5 GFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016203226 136202032 /nfs/dbraw/zinc/20/20/32/136202032.db2.gz UQMQHOFKMSAEEK-UHFFFAOYSA-N 0 0 385.380 2.507 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000003321003 551092708 /nfs/dbraw/zinc/09/27/08/551092708.db2.gz QFHUFTSILMGETD-CYBMUJFWSA-N 0 0 377.180 2.669 50 5 GFBARN Cc1nc(-c2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)[nH]c1C ZINC000048341429 570239581 /nfs/dbraw/zinc/23/95/81/570239581.db2.gz CIEDKZQBVSSGRS-UHFFFAOYSA-N 0 0 393.403 2.970 50 5 GFBARN CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000024746493 570288918 /nfs/dbraw/zinc/28/89/18/570288918.db2.gz RCQPANBIKCKHOI-UHFFFAOYSA-N 0 0 385.420 2.582 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000015913244 570289093 /nfs/dbraw/zinc/28/90/93/570289093.db2.gz VVXFMGKUGYPKCN-INIZCTEOSA-N 0 0 397.347 2.770 50 5 GFBARN C[C@@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014180300 570295047 /nfs/dbraw/zinc/29/50/47/570295047.db2.gz BKNOQBNUEYQBJL-LLVKDONJSA-N 0 0 381.344 2.620 50 5 GFBARN COc1ccc(NC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000023391563 570322386 /nfs/dbraw/zinc/32/23/86/570322386.db2.gz FMLLLOIRKALWMY-UHFFFAOYSA-N 0 0 383.364 2.504 50 5 GFBARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000786464 570323826 /nfs/dbraw/zinc/32/38/26/570323826.db2.gz XZMLUBIDRKGETF-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000023942974 570340031 /nfs/dbraw/zinc/34/00/31/570340031.db2.gz BDKJFAHOSZRKOX-AWEZNQCLSA-N 0 0 399.403 2.512 50 5 GFBARN COC(=O)c1sccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024937839 570356845 /nfs/dbraw/zinc/35/68/45/570356845.db2.gz WJQWLOZPMCGVKY-UHFFFAOYSA-N 0 0 390.421 2.797 50 5 GFBARN Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000026661021 570422579 /nfs/dbraw/zinc/42/25/79/570422579.db2.gz VNJRJNNJXVXIFV-UHFFFAOYSA-N 0 0 378.344 2.998 50 5 GFBARN O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000005316837 570433669 /nfs/dbraw/zinc/43/36/69/570433669.db2.gz CEZAUJDFKVZACT-UHFFFAOYSA-N 0 0 386.751 2.647 50 5 GFBARN CCOC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(Cc2ccccc2)c1=N ZINC000100743479 570491415 /nfs/dbraw/zinc/49/14/15/570491415.db2.gz GUJSZFIBFIISGH-UHFFFAOYSA-N 0 0 388.427 2.662 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000870315 570678631 /nfs/dbraw/zinc/67/86/31/570678631.db2.gz VMMYEILNADCOPK-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000013858021 570700793 /nfs/dbraw/zinc/70/07/93/570700793.db2.gz NJZPLZDNBUDUKS-UHFFFAOYSA-N 0 0 396.388 2.779 50 5 GFBARN CC(C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)n1 ZINC000025067392 570710029 /nfs/dbraw/zinc/71/00/29/570710029.db2.gz YSJRUXSJXGUJBN-UHFFFAOYSA-N 0 0 382.424 2.972 50 5 GFBARN COc1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1OC ZINC000000999368 570744580 /nfs/dbraw/zinc/74/45/80/570744580.db2.gz VUGYYZSJFNYWSE-UHFFFAOYSA-N 0 0 380.328 2.777 50 5 GFBARN O=C(NC(=S)N(CC1CCC1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000001067267 570749306 /nfs/dbraw/zinc/74/93/06/570749306.db2.gz LNAUEMNSCSWIKP-INIZCTEOSA-N 0 0 377.466 2.891 50 5 GFBARN COc1ccc2c(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc(=O)oc2c1 ZINC000032724197 570768952 /nfs/dbraw/zinc/76/89/52/570768952.db2.gz IQZSYJDTEWILSY-UHFFFAOYSA-N 0 0 399.311 2.796 50 5 GFBARN O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000034803600 570800468 /nfs/dbraw/zinc/80/04/68/570800468.db2.gz FBIIFAROPRIPSD-UYAOXDASSA-N 0 0 380.448 2.880 50 5 GFBARN O=C(CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102547327 570851284 /nfs/dbraw/zinc/85/12/84/570851284.db2.gz ALUKWSDTDKYMLG-BETUJISGSA-N 0 0 391.811 2.918 50 5 GFBARN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(O)c1 ZINC000170598346 570857037 /nfs/dbraw/zinc/85/70/37/570857037.db2.gz WIKWAIFDGMPFIR-OAHLLOKOSA-N 0 0 394.767 2.607 50 5 GFBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ncccn2)CC1 ZINC000015308080 570890375 /nfs/dbraw/zinc/89/03/75/570890375.db2.gz YSUZOGMHBFWGSY-UHFFFAOYSA-N 0 0 379.376 2.607 50 5 GFBARN CCc1c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000024562386 570892721 /nfs/dbraw/zinc/89/27/21/570892721.db2.gz ABEMOOIPZSBZKB-IBGZPJMESA-N 0 0 398.394 2.945 50 5 GFBARN O=C(CCc1cnn(-c2ccccc2)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000015823937 570905448 /nfs/dbraw/zinc/90/54/48/570905448.db2.gz ICLDCRLGTAYATJ-UHFFFAOYSA-N 0 0 379.420 2.941 50 5 GFBARN COc1cc2c(cc1OC)CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000032923130 570934366 /nfs/dbraw/zinc/93/43/66/570934366.db2.gz HFAITXXKLKCFSO-UHFFFAOYSA-N 0 0 395.419 2.886 50 5 GFBARN Cc1cccc(NC(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000047252048 570949950 /nfs/dbraw/zinc/94/99/50/570949950.db2.gz ZSMQFADTPUJLTM-UHFFFAOYSA-N 0 0 394.435 2.956 50 5 GFBARN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c(C)c1 ZINC000012775214 571028113 /nfs/dbraw/zinc/02/81/13/571028113.db2.gz HVXVMTXKAVUNHI-UHFFFAOYSA-N 0 0 379.438 2.725 50 5 GFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccn(Cc2ccc(C)cc2)n1 ZINC000000647174 206311832 /nfs/dbraw/zinc/31/18/32/206311832.db2.gz UNLNFTDKGQECNR-UHFFFAOYSA-N 0 0 388.815 2.945 50 5 GFBARN O=C(c1cccnc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000825315 206325742 /nfs/dbraw/zinc/32/57/42/206325742.db2.gz SVBWIDDKKFSXDJ-HNNXBMFYSA-N 0 0 380.282 2.599 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000870314 206330048 /nfs/dbraw/zinc/33/00/48/206330048.db2.gz LBAJMXKPIAPBLV-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000001112312 206353625 /nfs/dbraw/zinc/35/36/25/206353625.db2.gz WWJFIPPXTNELCJ-UHFFFAOYSA-N 0 0 383.813 2.653 50 5 GFBARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002830891 206438023 /nfs/dbraw/zinc/43/80/23/206438023.db2.gz OGPCXTFAXKTITE-UHFFFAOYSA-N 0 0 377.422 2.926 50 5 GFBARN COc1ccc(CNC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000003505205 206485423 /nfs/dbraw/zinc/48/54/23/206485423.db2.gz DGNQHJRAFBNFME-UHFFFAOYSA-N 0 0 378.768 2.730 50 5 GFBARN CCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004714195 206546382 /nfs/dbraw/zinc/54/63/82/206546382.db2.gz WSTDOFSNBBGIEB-UHFFFAOYSA-N 0 0 391.449 2.706 50 5 GFBARN COC(CNC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C)OC ZINC000004931091 206573297 /nfs/dbraw/zinc/57/32/97/206573297.db2.gz GQTCGKWNVJBRFR-UHFFFAOYSA-N 0 0 390.421 2.628 50 5 GFBARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000012643825 206922420 /nfs/dbraw/zinc/92/24/20/206922420.db2.gz UPOFSVUKMJLDGE-GFCCVEGCSA-N 0 0 388.380 2.675 50 5 GFBARN CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000014181211 207013822 /nfs/dbraw/zinc/01/38/22/207013822.db2.gz GUCRPHLBNKWIKD-UHFFFAOYSA-N 0 0 379.825 2.875 50 5 GFBARN COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000019595050 207143680 /nfs/dbraw/zinc/14/36/80/207143680.db2.gz NFIHKYGUEIOZND-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019595125 207144381 /nfs/dbraw/zinc/14/43/81/207144381.db2.gz JQDFPCJJXCFNRP-QPJJXVBHSA-N 0 0 396.403 2.974 50 5 GFBARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] ZINC000019866693 207167802 /nfs/dbraw/zinc/16/78/02/207167802.db2.gz KRLRLLAUMXTMBA-UHFFFAOYSA-N 0 0 383.404 2.590 50 5 GFBARN O=[N+]([O-])c1cccnc1Sc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000019804438 207163754 /nfs/dbraw/zinc/16/37/54/207163754.db2.gz YTWDADHXWRQMNM-UHFFFAOYSA-N 0 0 398.448 2.554 50 5 GFBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000024367587 207290490 /nfs/dbraw/zinc/29/04/90/207290490.db2.gz QDDCWDILBDYBEE-HNNXBMFYSA-N 0 0 376.438 2.851 50 5 GFBARN O=C1OC(c2ccccc2)=N/C1=C\N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027501410 207326325 /nfs/dbraw/zinc/32/63/25/207326325.db2.gz QZMMQRYUNYIBBR-JXAWBTAJSA-N 0 0 378.388 2.562 50 5 GFBARN COc1ccc(OC)c(-c2csc(NC(=O)Cn3ccc([N+](=O)[O-])n3)n2)c1 ZINC000040139075 207346733 /nfs/dbraw/zinc/34/67/33/207346733.db2.gz DERFSWLQIPIDPM-UHFFFAOYSA-N 0 0 389.393 2.571 50 5 GFBARN COc1ccc(NC(=O)CN2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029475679 207361655 /nfs/dbraw/zinc/36/16/55/207361655.db2.gz DYCODHGQUXRVNU-OAQYLSRUSA-N 0 0 399.447 2.988 50 5 GFBARN O=C(NCc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000030528954 207371447 /nfs/dbraw/zinc/37/14/47/207371447.db2.gz YTWHVDFQRUEPBV-UHFFFAOYSA-N 0 0 377.347 2.640 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2cccc(OC)c21 ZINC000031533883 207382185 /nfs/dbraw/zinc/38/21/85/207382185.db2.gz VCVQRUDAMZAOPC-UHFFFAOYSA-N 0 0 378.406 2.754 50 5 GFBARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000043269215 207630325 /nfs/dbraw/zinc/63/03/25/207630325.db2.gz AJTYPZTWVGIZPM-CQSZACIVSA-N 0 0 393.403 2.921 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000058214241 207769550 /nfs/dbraw/zinc/76/95/50/207769550.db2.gz USDDZHVFPXQUHB-ZDUSSCGKSA-N 0 0 379.376 2.538 50 5 GFBARN Cc1nc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000095431250 208180860 /nfs/dbraw/zinc/18/08/60/208180860.db2.gz QUAGZYIPGUHFFA-UHFFFAOYSA-N 0 0 395.384 2.900 50 5 GFBARN COCCN(Cc1ccco1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000095462117 208187756 /nfs/dbraw/zinc/18/77/56/208187756.db2.gz VICMCJFSBPNHNW-UHFFFAOYSA-N 0 0 388.829 2.987 50 5 GFBARN CCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100642258 208378259 /nfs/dbraw/zinc/37/82/59/208378259.db2.gz BMKGPFYHMVCWLJ-UHFFFAOYSA-N 0 0 393.491 2.910 50 5 GFBARN Cc1nc2cc(F)cc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2nc1C ZINC000048356399 208448431 /nfs/dbraw/zinc/44/84/31/208448431.db2.gz ZRBAHNLKKJNDTP-QGZVFWFLSA-N 0 0 384.367 2.757 50 5 GFBARN CC(C)NS(=O)(=O)c1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000024687506 208871462 /nfs/dbraw/zinc/87/14/62/208871462.db2.gz VXNYSVXGKVTNCL-UHFFFAOYSA-N 0 0 392.437 2.603 50 5 GFBARN CCc1[nH]n(C)c2nnc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c1-2 ZINC000225561929 208959205 /nfs/dbraw/zinc/95/92/05/208959205.db2.gz VGXQCUVSTZVHOT-UHFFFAOYSA-N 0 0 399.230 2.843 50 5 GFBARN COc1ccc(OC)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000004903620 136194413 /nfs/dbraw/zinc/19/44/13/136194413.db2.gz HTRGIIRSTOWVJH-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000022323416 535099899 /nfs/dbraw/zinc/09/98/99/535099899.db2.gz WHBXCCNQQVMPIE-UHFFFAOYSA-N 0 0 383.404 2.757 50 5 GFBARN CC(C)OC(=O)CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000001475660 570241447 /nfs/dbraw/zinc/24/14/47/570241447.db2.gz MKTMOPJPEIIDSX-UHFFFAOYSA-N 0 0 387.357 2.932 50 5 GFBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000010810152 570301208 /nfs/dbraw/zinc/30/12/08/570301208.db2.gz YFLXTYQONIJQAL-LBPRGKRZSA-N 0 0 386.383 2.934 50 5 GFBARN Cc1ccsc1CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000004839558 570306901 /nfs/dbraw/zinc/30/69/01/570306901.db2.gz LSNBOYNMJYSLMV-CYBMUJFWSA-N 0 0 394.474 2.794 50 5 GFBARN CCCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000024938350 570356991 /nfs/dbraw/zinc/35/69/91/570356991.db2.gz DNOODOGHJHIMQO-UHFFFAOYSA-N 0 0 377.832 2.886 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000005055173 570406912 /nfs/dbraw/zinc/40/69/12/570406912.db2.gz KFSRBCIJXFZMLI-UHFFFAOYSA-N 0 0 380.360 2.998 50 5 GFBARN COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000013012878 570417893 /nfs/dbraw/zinc/41/78/93/570417893.db2.gz WINHFZXAEJTNFO-LBPRGKRZSA-N 0 0 392.433 2.840 50 5 GFBARN Cc1cccc(-c2c3c(cn2-c2cccc([N+](=O)[O-])c2)n(C)c(=O)n(C)c3=O)c1 ZINC000005155987 570433492 /nfs/dbraw/zinc/43/34/92/570433492.db2.gz KBLVVTKFNALOAR-UHFFFAOYSA-N 0 0 390.399 2.912 50 5 GFBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000092814499 570438439 /nfs/dbraw/zinc/43/84/39/570438439.db2.gz BPBARGKAOBXWFI-UHFFFAOYSA-N 0 0 392.375 2.691 50 5 GFBARN COCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccccc1 ZINC000002236429 570450363 /nfs/dbraw/zinc/45/03/63/570450363.db2.gz FWMSTWUZGGWBJX-UHFFFAOYSA-N 0 0 378.384 2.825 50 5 GFBARN CCC(=O)N(C)CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccco1 ZINC000035945929 570481999 /nfs/dbraw/zinc/48/19/99/570481999.db2.gz VVRBCGCMEAFVIU-INIZCTEOSA-N 0 0 384.392 2.734 50 5 GFBARN O=C1Nc2ccc(S(=O)(=O)NNc3ccc([N+](=O)[O-])cc3)c3cccc1c23 ZINC000005214526 570508635 /nfs/dbraw/zinc/50/86/35/570508635.db2.gz CHCPBACMWCYZSA-UHFFFAOYSA-N 0 0 384.373 2.619 50 5 GFBARN O=c1oc2c(ccc3c2CN(CCCN2CCOCC2)CO3)c2ccccc21 ZINC000006662251 570525768 /nfs/dbraw/zinc/52/57/68/570525768.db2.gz QCQBGKGTKVQMSO-UHFFFAOYSA-N 0 0 380.444 2.820 50 5 GFBARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005523529 570626010 /nfs/dbraw/zinc/62/60/10/570626010.db2.gz VSEFLEYUMVWPCO-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000025227586 570742570 /nfs/dbraw/zinc/74/25/70/570742570.db2.gz HAAYZZABZAEEKV-UHFFFAOYSA-N 0 0 379.420 2.862 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000007091040 570788176 /nfs/dbraw/zinc/78/81/76/570788176.db2.gz FLLBRBDGDHXXCO-GFCCVEGCSA-N 0 0 385.376 2.746 50 5 GFBARN COC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000005970135 570810167 /nfs/dbraw/zinc/81/01/67/570810167.db2.gz HTGSPUXPLQADCQ-UHFFFAOYSA-N 0 0 379.394 2.781 50 5 GFBARN O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000004507006 570819440 /nfs/dbraw/zinc/81/94/40/570819440.db2.gz WPPYHSVRHHNAQE-UHFFFAOYSA-N 0 0 377.784 2.861 50 5 GFBARN Cc1ccc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1[N+](=O)[O-] ZINC000012506984 570822704 /nfs/dbraw/zinc/82/27/04/570822704.db2.gz JKHXEOBBOYZJQQ-KRWDZBQOSA-N 0 0 394.391 2.511 50 5 GFBARN COc1ccc(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004684550 570830202 /nfs/dbraw/zinc/83/02/02/570830202.db2.gz HAMODLAEBDLRKP-UHFFFAOYSA-N 0 0 397.431 2.915 50 5 GFBARN O=C(C=Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004701552 570842452 /nfs/dbraw/zinc/84/24/52/570842452.db2.gz ZGPSPJUKTGEWRU-IZZDOVSWSA-N 0 0 396.472 2.831 50 5 GFBARN O=C(NCc1ccnc(N2CCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046705319 570872803 /nfs/dbraw/zinc/87/28/03/570872803.db2.gz LBEQTOBSTVWRQR-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000007544710 570877730 /nfs/dbraw/zinc/87/77/30/570877730.db2.gz MDIPRLXSHODQIC-UHFFFAOYSA-N 0 0 386.242 2.934 50 5 GFBARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103541915 570886130 /nfs/dbraw/zinc/88/61/30/570886130.db2.gz CLZVPFLJJJAYNG-UKRRQHHQSA-N 0 0 389.726 2.680 50 5 GFBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F ZINC000004570438 570892476 /nfs/dbraw/zinc/89/24/76/570892476.db2.gz MJKAFSFHGYTSTF-GFCCVEGCSA-N 0 0 388.355 2.993 50 5 GFBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCCC1 ZINC000032910540 570912032 /nfs/dbraw/zinc/91/20/32/570912032.db2.gz OLVBISFLBTZMMM-SNVBAGLBSA-N 0 0 389.330 2.580 50 5 GFBARN COc1ccc(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000012686522 570948886 /nfs/dbraw/zinc/94/88/86/570948886.db2.gz FRPADXWUGNLJLL-UHFFFAOYSA-N 0 0 396.403 2.827 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1ncc(=O)c2ccccc21 ZINC000052938288 570957733 /nfs/dbraw/zinc/95/77/33/570957733.db2.gz GODAFHFSOCTZTD-CQSZACIVSA-N 0 0 380.404 2.914 50 5 GFBARN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000044653795 570976075 /nfs/dbraw/zinc/97/60/75/570976075.db2.gz GKYXBJIZSGEIEM-ZDUSSCGKSA-N 0 0 382.424 2.660 50 5 GFBARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(C)=O)cc1 ZINC000004801810 570995174 /nfs/dbraw/zinc/99/51/74/570995174.db2.gz MDKBTTQGGDPKMY-LDADJPATSA-N 0 0 397.387 2.887 50 5 GFBARN Cc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000007718534 571020685 /nfs/dbraw/zinc/02/06/85/571020685.db2.gz OLZBTYICVLVKMC-DLBZAZTESA-N 0 0 387.417 2.515 50 5 GFBARN O=C([C@@H]1CCCN(c2ncnc3cc4ccccc4cc32)C1)N1CCOCC1 ZINC000084606384 571026138 /nfs/dbraw/zinc/02/61/38/571026138.db2.gz GQNIPZSUGZHPRV-GOSISDBHSA-N 0 0 376.460 2.858 50 5 GFBARN CCCCN(C(=O)OCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025668712 206254275 /nfs/dbraw/zinc/25/42/75/206254275.db2.gz AVKDZSJBDNDGIU-UHFFFAOYSA-N 0 0 389.386 2.670 50 5 GFBARN CC[C@H](SCC(=O)OC)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000009404373 206333394 /nfs/dbraw/zinc/33/33/94/206333394.db2.gz RQZXNBGUPYSATB-NSHDSACASA-N 0 0 396.450 2.737 50 5 GFBARN O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000001136656 206358181 /nfs/dbraw/zinc/35/81/81/206358181.db2.gz SSPQGZZRAOOOTI-UHFFFAOYSA-N 0 0 393.193 2.831 50 5 GFBARN O=C(Oc1ccc(C(=S)N2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001162185 206362567 /nfs/dbraw/zinc/36/25/67/206362567.db2.gz RNPHIURBYHZAJA-UHFFFAOYSA-N 0 0 386.429 2.946 50 5 GFBARN COC(=O)c1cc(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])oc1C ZINC000003285327 206467731 /nfs/dbraw/zinc/46/77/31/206467731.db2.gz YNBSOBAMVJRJKI-UHFFFAOYSA-N 0 0 379.321 2.657 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000005661128 206623911 /nfs/dbraw/zinc/62/39/11/206623911.db2.gz CDOKCMVLXBXHEL-UHFFFAOYSA-N 0 0 383.360 2.618 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 ZINC000005950322 206634658 /nfs/dbraw/zinc/63/46/58/206634658.db2.gz UTIPQCQKJFCBKV-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1sc(C)nc1C ZINC000006366577 206648656 /nfs/dbraw/zinc/64/86/56/206648656.db2.gz JDUQULVDTQSZFC-SECBINFHSA-N 0 0 379.394 2.861 50 5 GFBARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000006668408 206662206 /nfs/dbraw/zinc/66/22/06/206662206.db2.gz ABMVSCUNHDTQIG-SFHVURJKSA-N 0 0 394.387 2.600 50 5 GFBARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000008234033 206740891 /nfs/dbraw/zinc/74/08/91/206740891.db2.gz SYXPKYWXIRJDMD-VIFPVBQESA-N 0 0 380.378 2.816 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000008826208 206766640 /nfs/dbraw/zinc/76/66/40/206766640.db2.gz FCJKDFXCGNCBKM-UHFFFAOYSA-N 0 0 396.381 2.721 50 5 GFBARN COc1ccc(CSCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000036393540 206794879 /nfs/dbraw/zinc/79/48/79/206794879.db2.gz RXLGWUBPKHBWNA-UHFFFAOYSA-N 0 0 390.417 2.882 50 5 GFBARN Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000012580087 206916384 /nfs/dbraw/zinc/91/63/84/206916384.db2.gz YYKYDJUXHNDNTP-KRWDZBQOSA-N 0 0 386.433 2.933 50 5 GFBARN COC(=O)CN1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000012528071 206908714 /nfs/dbraw/zinc/90/87/14/206908714.db2.gz NQTIEGZKXAFNCG-UHFFFAOYSA-N 0 0 397.431 2.511 50 5 GFBARN COCCNc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000014484250 207022094 /nfs/dbraw/zinc/02/20/94/207022094.db2.gz STKBPAHGRDSLJI-LBPRGKRZSA-N 0 0 387.392 2.873 50 5 GFBARN CCCCn1cnc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2CCC ZINC000014356214 207019253 /nfs/dbraw/zinc/01/92/53/207019253.db2.gz UBPNNXADDDIWGV-UHFFFAOYSA-N 0 0 385.424 2.526 50 5 GFBARN Cc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017323396 207089629 /nfs/dbraw/zinc/08/96/29/207089629.db2.gz DTXSOVKAIBDWKA-CQSZACIVSA-N 0 0 378.388 2.940 50 5 GFBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)c1 ZINC000017206320 207087975 /nfs/dbraw/zinc/08/79/75/207087975.db2.gz LBNUHXKDYFCYHG-UHFFFAOYSA-N 0 0 396.407 2.762 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020352270 207189138 /nfs/dbraw/zinc/18/91/38/207189138.db2.gz ZGYRFDKWUFVMBI-UHFFFAOYSA-N 0 0 384.392 2.673 50 5 GFBARN Cc1ccc(-n2cc3c(c2-c2cccc([N+](=O)[O-])c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000020443120 207193219 /nfs/dbraw/zinc/19/32/19/207193219.db2.gz XELWLDQHWFCFIS-UHFFFAOYSA-N 0 0 390.399 2.912 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(F)c(NC(C)=O)c1 ZINC000024362737 207290913 /nfs/dbraw/zinc/29/09/13/207290913.db2.gz BGCAUNPZRHJHLK-UHFFFAOYSA-N 0 0 376.344 2.752 50 5 GFBARN C[C@H](OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000024642381 207292838 /nfs/dbraw/zinc/29/28/38/207292838.db2.gz FCYPCCQVBJCHFR-IKMUXJAOSA-N 0 0 396.827 2.829 50 5 GFBARN COc1ccc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2N)cc1 ZINC000040127259 207343110 /nfs/dbraw/zinc/34/31/10/207343110.db2.gz NVJLXQWZRHZTOB-UHFFFAOYSA-N 0 0 387.421 2.747 50 5 GFBARN O=C(c1ccccn1)N1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000057140739 207750682 /nfs/dbraw/zinc/75/06/82/207750682.db2.gz BYCWAXZSVWNKLS-UHFFFAOYSA-N 0 0 377.404 2.891 50 5 GFBARN COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1O ZINC000095117850 208155627 /nfs/dbraw/zinc/15/56/27/208155627.db2.gz BIAYWIAXTZZIMK-UHFFFAOYSA-N 0 0 387.436 2.635 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000013021690 208779607 /nfs/dbraw/zinc/77/96/07/208779607.db2.gz TWNXBHKMQZGNHE-UHFFFAOYSA-N 0 0 386.433 2.627 50 5 GFBARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006561079 220942166 /nfs/dbraw/zinc/94/21/66/220942166.db2.gz ZBQJTJGIGLXGPM-UHFFFAOYSA-N 0 0 383.385 2.895 50 5 GFBARN CS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000005375362 136194828 /nfs/dbraw/zinc/19/48/28/136194828.db2.gz IMUJNGDWFSQVIZ-UHFFFAOYSA-N 0 0 375.406 2.559 50 5 GFBARN Cc1nsc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000072311225 222224300 /nfs/dbraw/zinc/22/43/00/222224300.db2.gz IXZWJYOTNHUNIF-UHFFFAOYSA-N 0 0 382.833 2.762 50 5 GFBARN NS(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000012901172 570288160 /nfs/dbraw/zinc/28/81/60/570288160.db2.gz ULNYQAIQTVPRQN-UHFFFAOYSA-N 0 0 392.311 2.720 50 5 GFBARN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@@H](C)O1 ZINC000004844546 570316472 /nfs/dbraw/zinc/31/64/72/570316472.db2.gz XNLLJNVXSYYCJK-HUUCEWRRSA-N 0 0 397.497 2.773 50 5 GFBARN COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000012986419 570407129 /nfs/dbraw/zinc/40/71/29/570407129.db2.gz BLRXCTUDAXVHFI-UHFFFAOYSA-N 0 0 383.404 2.510 50 5 GFBARN CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccn1 ZINC000006510498 570461475 /nfs/dbraw/zinc/46/14/75/570461475.db2.gz UNLMUAHUHAEBTQ-MRXNPFEDSA-N 0 0 390.827 2.714 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000005189253 570498664 /nfs/dbraw/zinc/49/86/64/570498664.db2.gz DDELISCLFUAFOA-UHFFFAOYSA-N 0 0 378.406 2.714 50 5 GFBARN CCOC(=O)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000006720245 570548664 /nfs/dbraw/zinc/54/86/64/570548664.db2.gz SEXGBMMFTMBZST-UHFFFAOYSA-N 0 0 392.455 2.956 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005500471 570613404 /nfs/dbraw/zinc/61/34/04/570613404.db2.gz MBTBTBVNWMKAEK-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN CCOC(=O)C[C@@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccccc1Cl ZINC000004625620 570702825 /nfs/dbraw/zinc/70/28/25/570702825.db2.gz SWCIPWRQXQNENI-CQSZACIVSA-N 0 0 394.815 2.564 50 5 GFBARN Cc1c(-c2ccnc3cc(C(=O)Nc4ccc(C)cc4[N+](=O)[O-])nn32)cnn1C ZINC000006922620 570706939 /nfs/dbraw/zinc/70/69/39/570706939.db2.gz MUYPLXRZQVKGDT-UHFFFAOYSA-N 0 0 391.391 2.907 50 5 GFBARN O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cccc([N+](=O)[O-])c1 ZINC000004377277 570722885 /nfs/dbraw/zinc/72/28/85/570722885.db2.gz CCOYLGNMVJOAKJ-UHFFFAOYSA-N 0 0 385.357 2.850 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000025240871 570743870 /nfs/dbraw/zinc/74/38/70/570743870.db2.gz RMNUNGKJSBFDFY-UHFFFAOYSA-N 0 0 393.399 2.868 50 5 GFBARN CCOC(=O)C[C@H](Sc1ccc(C(=O)OCC)cc1[N+](=O)[O-])C(=O)OCC ZINC000004660977 570810698 /nfs/dbraw/zinc/81/06/98/570810698.db2.gz ZVXFCHVLSHDPJC-AWEZNQCLSA-N 0 0 399.421 2.749 50 5 GFBARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007404510 570837613 /nfs/dbraw/zinc/83/76/13/570837613.db2.gz GVJRJVUGQGBKPE-UHFFFAOYSA-N 0 0 377.784 2.968 50 5 GFBARN COc1ccc(NC(C)=O)cc1NC(=O)CN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000032823994 570838439 /nfs/dbraw/zinc/83/84/39/570838439.db2.gz NGWGQRVCOJCWMZ-GFCCVEGCSA-N 0 0 398.419 2.952 50 5 GFBARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004059300 570926320 /nfs/dbraw/zinc/92/63/20/570926320.db2.gz PQSWUFGNXIRHFJ-MRXNPFEDSA-N 0 0 377.364 2.509 50 5 GFBARN COc1ccc(C)cc1NC(=O)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000043127043 570949116 /nfs/dbraw/zinc/94/91/16/570949116.db2.gz ZVOKGXUKKLORHN-UHFFFAOYSA-N 0 0 388.380 2.681 50 5 GFBARN Cc1c(CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cccc1[N+](=O)[O-] ZINC000047354127 570954217 /nfs/dbraw/zinc/95/42/17/570954217.db2.gz UMMXEZKDSNTLFL-FQEVSTJZSA-N 0 0 397.387 2.685 50 5 GFBARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000012074163 570958065 /nfs/dbraw/zinc/95/80/65/570958065.db2.gz GCUWUJGRTKPRGM-UHFFFAOYSA-N 0 0 382.420 2.872 50 5 GFBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1cc(Cl)ccc1F ZINC000054919685 654765321 /nfs/dbraw/zinc/76/53/21/654765321.db2.gz ZIPDVWOWSBCNRU-UHFFFAOYSA-N 0 0 377.557 2.985 50 5 GFBARN COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)c1 ZINC000000653110 206312685 /nfs/dbraw/zinc/31/26/85/206312685.db2.gz ULXQGPLFLVGZML-UHFFFAOYSA-N 0 0 389.393 2.721 50 5 GFBARN CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000687124 206317117 /nfs/dbraw/zinc/31/71/17/206317117.db2.gz WUAOZMJVYZMPQK-GOSISDBHSA-N 0 0 397.387 2.932 50 5 GFBARN COc1cc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc([N+](=O)[O-])c1 ZINC000001068960 206348610 /nfs/dbraw/zinc/34/86/10/206348610.db2.gz PCVRIKFKYMZQCY-UHFFFAOYSA-N 0 0 378.295 2.539 50 5 GFBARN COc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000010218982 206375271 /nfs/dbraw/zinc/37/52/71/206375271.db2.gz PMAUVHOKNHRHBE-UHFFFAOYSA-N 0 0 396.396 2.935 50 5 GFBARN Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C[C@@H]1CCCO1 ZINC000002660759 206427471 /nfs/dbraw/zinc/42/74/71/206427471.db2.gz QBWWZYYOLUBZOJ-ZDUSSCGKSA-N 0 0 376.365 2.825 50 5 GFBARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000003496351 206483565 /nfs/dbraw/zinc/48/35/65/206483565.db2.gz PJJVJVXPXRCMJT-UHFFFAOYSA-N 0 0 386.393 2.833 50 5 GFBARN COc1ccc2cc(CN(C)C(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2c1 ZINC000007020395 206700146 /nfs/dbraw/zinc/70/01/46/206700146.db2.gz CSVRESUCWXEADI-UHFFFAOYSA-N 0 0 381.388 2.577 50 5 GFBARN O=C(CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(c2ccccc2)CC1 ZINC000008742552 206763903 /nfs/dbraw/zinc/76/39/03/206763903.db2.gz PKNXCAQHNGZOPT-UHFFFAOYSA-N 0 0 379.420 2.753 50 5 GFBARN CCN(CC(=O)NC(C)C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000014111182 207010565 /nfs/dbraw/zinc/01/05/65/207010565.db2.gz CLVGHKPHRHLRKQ-UHFFFAOYSA-N 0 0 375.372 2.551 50 5 GFBARN CC[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000015566221 207053306 /nfs/dbraw/zinc/05/33/06/207053306.db2.gz SXZVLOMLVOVRRO-CYBMUJFWSA-N 0 0 381.388 2.501 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NN=c1ccc(C(F)(F)F)c[nH]1 ZINC000016151525 207073644 /nfs/dbraw/zinc/07/36/44/207073644.db2.gz WCRUUHWKJFIJFJ-UHFFFAOYSA-N 0 0 376.316 2.622 50 5 GFBARN COc1ccc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=N)cc1OC ZINC000017081241 207085628 /nfs/dbraw/zinc/08/56/28/207085628.db2.gz USASCUHZCFGICK-UHFFFAOYSA-N 0 0 397.387 2.810 50 5 GFBARN CCc1cc2c(ncn(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2=O)s1 ZINC000017243469 207088050 /nfs/dbraw/zinc/08/80/50/207088050.db2.gz ZFIWPFARWUSPHZ-UHFFFAOYSA-N 0 0 399.432 2.887 50 5 GFBARN O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018244191 207096737 /nfs/dbraw/zinc/09/67/37/207096737.db2.gz ALUKWSDTDKYMLG-STQMWFEESA-N 0 0 391.811 2.918 50 5 GFBARN COc1cc2c(cc1OC)CN(C(=O)COc1cc(C)ccc1[N+](=O)[O-])CC2 ZINC000019192713 207106129 /nfs/dbraw/zinc/10/61/29/207106129.db2.gz QZKQCVFQRGKXSI-UHFFFAOYSA-N 0 0 386.404 2.884 50 5 GFBARN Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000019866178 207168653 /nfs/dbraw/zinc/16/86/53/207168653.db2.gz ISWVUYGWTNZQPZ-UHFFFAOYSA-N 0 0 383.404 2.590 50 5 GFBARN COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019831636 207164600 /nfs/dbraw/zinc/16/46/00/207164600.db2.gz GEGIKKOQJRVKCM-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN CCN(Cc1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025072630 207300339 /nfs/dbraw/zinc/30/03/39/207300339.db2.gz RIVGYGVLGPNKAY-UHFFFAOYSA-N 0 0 392.433 2.796 50 5 GFBARN CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040130829 207345221 /nfs/dbraw/zinc/34/52/21/207345221.db2.gz WSGIDVXLYAMJIK-ZDUSSCGKSA-N 0 0 378.429 2.716 50 5 GFBARN Cc1ccc2nc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)sc2c1 ZINC000029472370 207361707 /nfs/dbraw/zinc/36/17/07/207361707.db2.gz HEHZRMCOSLMNCH-UHFFFAOYSA-N 0 0 398.400 2.877 50 5 GFBARN CN(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000031251048 207379249 /nfs/dbraw/zinc/37/92/49/207379249.db2.gz NSGLAERATMSWEA-UHFFFAOYSA-N 0 0 396.447 2.649 50 5 GFBARN COc1ccc(CSCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000036391179 207528716 /nfs/dbraw/zinc/52/87/16/207528716.db2.gz KZRJFROHQVOAGV-UHFFFAOYSA-N 0 0 388.405 2.645 50 5 GFBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335263 208105559 /nfs/dbraw/zinc/10/55/59/208105559.db2.gz YRLFGBXBOJTNHN-CQSZACIVSA-N 0 0 380.809 2.849 50 5 GFBARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(F)cc1N ZINC000089574028 208107225 /nfs/dbraw/zinc/10/72/25/208107225.db2.gz IREHDYOQSWYZLW-SECBINFHSA-N 0 0 377.328 2.509 50 5 GFBARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(F)cc1N ZINC000089574026 208107451 /nfs/dbraw/zinc/10/74/51/208107451.db2.gz IREHDYOQSWYZLW-VIFPVBQESA-N 0 0 377.328 2.509 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cc([N+](=O)[O-])c1 ZINC000089962837 208111494 /nfs/dbraw/zinc/11/14/94/208111494.db2.gz NFYDDLPSHYUVFJ-UHFFFAOYSA-N 0 0 387.348 2.601 50 5 GFBARN O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000096010257 208252442 /nfs/dbraw/zinc/25/24/42/208252442.db2.gz FVBLCJFKKHKBBS-OAHLLOKOSA-N 0 0 386.314 2.922 50 5 GFBARN CC(C)n1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100630620 208378005 /nfs/dbraw/zinc/37/80/05/208378005.db2.gz QQVTYOKFUOKOEU-UHFFFAOYSA-N 0 0 387.443 2.640 50 5 GFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])NCC1(c2ccccc2)CCOCC1 ZINC000048356214 208448684 /nfs/dbraw/zinc/44/86/84/208448684.db2.gz UXTBSBGNIPGCJY-UHFFFAOYSA-N 0 0 388.395 2.977 50 5 GFBARN COc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000004581229 208545778 /nfs/dbraw/zinc/54/57/78/208545778.db2.gz RWWZXALQBYDZQJ-YRGRVCCFSA-N 0 0 394.424 2.710 50 5 GFBARN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000012623780 208772462 /nfs/dbraw/zinc/77/24/62/208772462.db2.gz WNEMJZGPPWVMFB-MRXNPFEDSA-N 0 0 397.347 2.770 50 5 GFBARN Cc1c(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cccc1[N+](=O)[O-] ZINC000004106210 220681304 /nfs/dbraw/zinc/68/13/04/220681304.db2.gz SAQVVBSHWVZSSQ-AREMUKBSSA-N 0 0 376.438 2.869 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)NC(=O)Nc1ccccc1F ZINC000005841019 519108245 /nfs/dbraw/zinc/10/82/45/519108245.db2.gz MTOMDRXGBAUJPV-CMDGGOBGSA-N 0 0 387.323 2.639 50 5 GFBARN CC(C)(C)OC(=O)NC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048272307 570225599 /nfs/dbraw/zinc/22/55/99/570225599.db2.gz ZLLDIZNEUOHVPR-UHFFFAOYSA-N 0 0 375.429 2.891 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1 ZINC000035073507 570227175 /nfs/dbraw/zinc/22/71/75/570227175.db2.gz CMJDIUGAIQMYEE-UHFFFAOYSA-N 0 0 389.477 2.534 50 5 GFBARN O=C1[C@@H]2CCC[C@H]2N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000072301662 570256409 /nfs/dbraw/zinc/25/64/09/570256409.db2.gz SQBHHMQZZPEULI-ZIAGYGMSSA-N 0 0 398.385 2.704 50 5 GFBARN O=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004820788 570260804 /nfs/dbraw/zinc/26/08/04/570260804.db2.gz DDJXVFIVYAUCLA-MRXNPFEDSA-N 0 0 399.428 2.989 50 5 GFBARN Cc1cc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c([N+](=O)[O-])cc1C ZINC000006177756 570281740 /nfs/dbraw/zinc/28/17/40/570281740.db2.gz DTVOYLMLJGGTSR-UHFFFAOYSA-N 0 0 376.350 2.681 50 5 GFBARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OCC)c([N+](=O)[O-])c1 ZINC000004825207 570283367 /nfs/dbraw/zinc/28/33/67/570283367.db2.gz SXUNZFXBBOZKQD-OAHLLOKOSA-N 0 0 393.396 2.583 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1 ZINC000004910353 570360004 /nfs/dbraw/zinc/36/00/04/570360004.db2.gz SHKYRBMDWWCTPA-UHFFFAOYSA-N 0 0 375.392 2.512 50 5 GFBARN Cc1cc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)n1 ZINC000011009984 570426305 /nfs/dbraw/zinc/42/63/05/570426305.db2.gz YNBDBCYDEVFHMV-UHFFFAOYSA-N 0 0 399.451 2.544 50 5 GFBARN COc1ccc(OC)c(Nc2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 ZINC000005215222 570512456 /nfs/dbraw/zinc/51/24/56/570512456.db2.gz DFBGQGAYWARNTB-LLVKDONJSA-N 0 0 388.428 2.964 50 5 GFBARN COc1cc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)cc1[N+](=O)[O-] ZINC000005325115 570553773 /nfs/dbraw/zinc/55/37/73/570553773.db2.gz ZQJDNZLXJLTHLS-UHFFFAOYSA-N 0 0 385.298 2.731 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005346899 570561434 /nfs/dbraw/zinc/56/14/34/570561434.db2.gz LXJCERDAVOJFJN-UHFFFAOYSA-N 0 0 390.417 2.503 50 5 GFBARN CCOC(=O)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004622502 570678981 /nfs/dbraw/zinc/67/89/81/570678981.db2.gz KQLOLXZEZBKSHQ-ZDUSSCGKSA-N 0 0 396.419 2.603 50 5 GFBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1coc(CSc2ncccn2)cc1=O ZINC000004377350 570722977 /nfs/dbraw/zinc/72/29/77/570722977.db2.gz IDDAXHYIFYEQBX-UHFFFAOYSA-N 0 0 399.384 2.778 50 5 GFBARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000007420298 570839480 /nfs/dbraw/zinc/83/94/80/570839480.db2.gz GKLMUMDVQIYHQU-UHFFFAOYSA-N 0 0 396.407 2.685 50 5 GFBARN CNc1cc(N2CCN(C(=O)c3cccc(C)c3OC)CC2)ccc1[N+](=O)[O-] ZINC000004739202 570904236 /nfs/dbraw/zinc/90/42/36/570904236.db2.gz YKYMVOAVGFINPJ-UHFFFAOYSA-N 0 0 384.436 2.916 50 5 GFBARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000032910162 570912930 /nfs/dbraw/zinc/91/29/30/570912930.db2.gz WQDMYDXDKMNVPV-CHWSQXEVSA-N 0 0 375.425 2.513 50 5 GFBARN CN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000025655780 570935132 /nfs/dbraw/zinc/93/51/32/570935132.db2.gz UQCMGRCPSMOTPO-UHFFFAOYSA-N 0 0 377.784 2.968 50 5 GFBARN Cc1nn(CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000004762842 570970414 /nfs/dbraw/zinc/97/04/14/570970414.db2.gz SQYGCZRLOKZVGT-UHFFFAOYSA-N 0 0 389.431 2.676 50 5 GFBARN O=c1ccc(-c2ccccc2)nn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054657965 570993669 /nfs/dbraw/zinc/99/36/69/570993669.db2.gz QWADDXORLGVEGW-UHFFFAOYSA-N 0 0 375.344 2.917 50 5 GFBARN O=C(Nc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007701435 571018276 /nfs/dbraw/zinc/01/82/76/571018276.db2.gz VKGWISHATJUUOW-UHFFFAOYSA-N 0 0 389.433 2.634 50 5 GFBARN O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001131862 206357130 /nfs/dbraw/zinc/35/71/30/206357130.db2.gz PUXTWGXQYOOUKW-JVVKFSLBSA-N 0 0 397.390 2.867 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCCS(=O)(=O)c1ccccc1 ZINC000010218354 206374686 /nfs/dbraw/zinc/37/46/86/206374686.db2.gz NVGFMGLNJJHSKK-UHFFFAOYSA-N 0 0 378.406 2.796 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000001423521 206380991 /nfs/dbraw/zinc/38/09/91/206380991.db2.gz VAWKOGNBSYCXNK-UHFFFAOYSA-N 0 0 378.410 2.547 50 5 GFBARN Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(Cc2ccc(F)cc2)n1 ZINC000001429809 206381045 /nfs/dbraw/zinc/38/10/45/206381045.db2.gz UGBNVSULSAZMJJ-UHFFFAOYSA-N 0 0 386.387 2.739 50 5 GFBARN COc1ccc(CNC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000001432158 206381502 /nfs/dbraw/zinc/38/15/02/206381502.db2.gz DLKJFCQEVVIHCX-UHFFFAOYSA-N 0 0 376.413 2.522 50 5 GFBARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000001140329 206358930 /nfs/dbraw/zinc/35/89/30/206358930.db2.gz JTPVMHBCLMNXMY-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN Cc1nnc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)s1 ZINC000001779610 206391790 /nfs/dbraw/zinc/39/17/90/206391790.db2.gz VLNPYYVQFWUUEK-UHFFFAOYSA-N 0 0 394.368 2.786 50 5 GFBARN COc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004893309 206567258 /nfs/dbraw/zinc/56/72/58/206567258.db2.gz MXLVWNFLVHOPLN-UHFFFAOYSA-N 0 0 399.403 2.999 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000004740977 206550204 /nfs/dbraw/zinc/55/02/04/206550204.db2.gz OYFREVIYANQVJT-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc(Cl)cc1 ZINC000005675467 206624488 /nfs/dbraw/zinc/62/44/88/206624488.db2.gz CFPDAZWTMJWEJS-UHFFFAOYSA-N 0 0 394.767 2.818 50 5 GFBARN Cc1c(-c2ccnc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)nn32)cnn1C ZINC000006922144 206694877 /nfs/dbraw/zinc/69/48/77/206694877.db2.gz GFOKWNFHGRDGRE-UHFFFAOYSA-N 0 0 391.391 2.907 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000007141438 206704498 /nfs/dbraw/zinc/70/44/98/206704498.db2.gz TYPOAAZUFBMQCN-UHFFFAOYSA-N 0 0 392.477 2.945 50 5 GFBARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc21 ZINC000012989974 206961098 /nfs/dbraw/zinc/96/10/98/206961098.db2.gz WOUPXHLHXJVRIZ-UHFFFAOYSA-N 0 0 393.396 2.698 50 5 GFBARN O=C(N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019800038 207162533 /nfs/dbraw/zinc/16/25/33/207162533.db2.gz VANHQYGKEDTASY-AAEUAGOBSA-N 0 0 396.658 2.790 50 5 GFBARN Cc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024573048 207292062 /nfs/dbraw/zinc/29/20/62/207292062.db2.gz KOBPUAYNEZMQJX-LBPRGKRZSA-N 0 0 377.426 2.691 50 5 GFBARN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] ZINC000036075334 207511360 /nfs/dbraw/zinc/51/13/60/207511360.db2.gz ONVZBPNGXVPCMU-FZDBZEDMSA-N 0 0 387.392 2.800 50 5 GFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccc([N+](=O)[O-])cc1Cl ZINC000059383172 207784209 /nfs/dbraw/zinc/78/42/09/207784209.db2.gz FEAQNVXIBYIOFI-UHFFFAOYSA-N 0 0 382.741 2.717 50 5 GFBARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000101033842 208386313 /nfs/dbraw/zinc/38/63/13/208386313.db2.gz NELMJURKBWYMHB-BPNCWPANSA-N 0 0 391.811 2.748 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000101356267 208391302 /nfs/dbraw/zinc/39/13/02/208391302.db2.gz GPYKERXVRPIYND-GVAFMPQTSA-N 0 0 393.193 2.580 50 5 GFBARN COc1cccc(COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000016208219 208796778 /nfs/dbraw/zinc/79/67/78/208796778.db2.gz JZQNUAWXKXDSLO-UHFFFAOYSA-N 0 0 378.768 2.730 50 5 GFBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N[C@H]1CCCc2ccccc21 ZINC000023380086 208866945 /nfs/dbraw/zinc/86/69/45/208866945.db2.gz PGEWPTSVFGKWCK-KRWDZBQOSA-N 0 0 384.436 2.605 50 5 GFBARN CC(C)(C)CC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(N)=O ZINC000225605246 208962036 /nfs/dbraw/zinc/96/20/36/208962036.db2.gz HZTOZUMFFFXVEK-NSHDSACASA-N 0 0 393.412 2.683 50 5 GFBARN CCOC(=O)[C@@H]1C(=CCl)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000227144189 208999170 /nfs/dbraw/zinc/99/91/70/208999170.db2.gz AXKBUKCGIZQYPM-WTEYMAAXSA-N 0 0 394.811 2.988 50 5 GFBARN C[C@H]1CN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000012756320 221227210 /nfs/dbraw/zinc/22/72/10/221227210.db2.gz QCCGAVQXGQTWNJ-RYUDHWBXSA-N 0 0 376.438 2.913 50 5 GFBARN O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000005050771 136196644 /nfs/dbraw/zinc/19/66/44/136196644.db2.gz IHHVQRJXERFSLL-UHFFFAOYSA-N 0 0 395.463 2.943 50 5 GFBARN COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@H](COC)C3)n2)C1 ZINC000170610853 136199024 /nfs/dbraw/zinc/19/90/24/136199024.db2.gz PQOLFEDGBNQOJT-HOTGVXAUSA-N 0 0 378.473 2.715 50 5 GFBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Sc1nnnn1-c1ccccc1 ZINC000009307651 551103470 /nfs/dbraw/zinc/10/34/70/551103470.db2.gz GZMWQFSMHXLJCP-UHFFFAOYSA-N 0 0 375.757 2.911 50 5 GFBARN Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012866131 551107952 /nfs/dbraw/zinc/10/79/52/551107952.db2.gz LUILUGXXDGRCKB-SSDOTTSWSA-N 0 0 384.801 2.779 50 5 GFBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Br)cnn21 ZINC000013645235 551108999 /nfs/dbraw/zinc/10/89/99/551108999.db2.gz AKYROQJXDAXSNG-UHFFFAOYSA-N 0 0 377.154 2.854 50 5 GFBARN CNC(=C([C@H](O)C(F)(F)Cl)[N+](=O)[O-])N(Cc1ccc(Cl)nc1)C1CC1 ZINC000048523320 551156823 /nfs/dbraw/zinc/15/68/23/551156823.db2.gz KSUUDUGGLLSTKZ-OWRWYXLESA-N 0 0 397.209 2.557 50 5 GFBARN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000006044355 570221527 /nfs/dbraw/zinc/22/15/27/570221527.db2.gz NLBNEAKUGKECFO-UHFFFAOYSA-N 0 0 391.449 2.536 50 5 GFBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000006083974 570239471 /nfs/dbraw/zinc/23/94/71/570239471.db2.gz GFTUZCYSFYPALW-UHFFFAOYSA-N 0 0 376.731 2.736 50 5 GFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000012886332 570284724 /nfs/dbraw/zinc/28/47/24/570284724.db2.gz UEUWSUHPRJBEGO-AWEZNQCLSA-N 0 0 381.392 2.774 50 5 GFBARN CC1=Nc2nnnn2[C@@H](c2ccccc2[N+](=O)[O-])C1C(=O)OCc1ccccc1 ZINC000004934859 570373696 /nfs/dbraw/zinc/37/36/96/570373696.db2.gz IBWYCDCVGFTLMG-KRWDZBQOSA-N 0 0 392.375 2.614 50 5 GFBARN Cc1cc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1C ZINC000006465272 570441826 /nfs/dbraw/zinc/44/18/26/570441826.db2.gz CPUDFTXUFNNBOX-UHFFFAOYSA-N 0 0 386.404 2.964 50 5 GFBARN O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn21)N1CCCCC1 ZINC000005167748 570489826 /nfs/dbraw/zinc/48/98/26/570489826.db2.gz RLCOKCHRNHCWPI-UHFFFAOYSA-N 0 0 398.448 2.804 50 5 GFBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000005176788 570493872 /nfs/dbraw/zinc/49/38/72/570493872.db2.gz ZOZOWIWVOUKNSJ-LBPRGKRZSA-N 0 0 398.824 2.671 50 5 GFBARN COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)NC(C)=O)cc1 ZINC000005188761 570498294 /nfs/dbraw/zinc/49/82/94/570498294.db2.gz OYUOUILHBRCDFG-VZCXRCSSSA-N 0 0 381.344 2.858 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000072302004 570506287 /nfs/dbraw/zinc/50/62/87/570506287.db2.gz MJUZQBZDXWDMQO-UHFFFAOYSA-N 0 0 380.397 2.718 50 5 GFBARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004331245 570575147 /nfs/dbraw/zinc/57/51/47/570575147.db2.gz QNSATNQTYWYGTI-UHFFFAOYSA-N 0 0 399.842 2.859 50 5 GFBARN COc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000003530086 570610561 /nfs/dbraw/zinc/61/05/61/570610561.db2.gz AVTPFPSUHMMMDZ-UHFFFAOYSA-N 0 0 375.333 2.836 50 5 GFBARN CNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)C(F)F)n1 ZINC000004433458 570769537 /nfs/dbraw/zinc/76/95/37/570769537.db2.gz DTNNKOVJEHZGHO-UHFFFAOYSA-N 0 0 376.270 2.844 50 5 GFBARN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189806584 570773410 /nfs/dbraw/zinc/77/34/10/570773410.db2.gz YJVNKNMAZNSJHV-SFHVURJKSA-N 0 0 388.449 2.849 50 5 GFBARN CSc1ccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000032756727 570798195 /nfs/dbraw/zinc/79/81/95/570798195.db2.gz LSFSHAUWFPHBMJ-UHFFFAOYSA-N 0 0 376.438 2.571 50 5 GFBARN O=C1C=CC(=O)N1c1c(Br)cc([N+](=O)[O-])cc1Br ZINC000005943601 570807442 /nfs/dbraw/zinc/80/74/42/570807442.db2.gz MTDNRRKQQROOGF-UHFFFAOYSA-N 0 0 375.960 2.549 50 5 GFBARN COc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497219 570812848 /nfs/dbraw/zinc/81/28/48/570812848.db2.gz ZHGVSJLKVODAGU-XVCALJJASA-N 0 0 381.388 2.538 50 5 GFBARN Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000007239020 570819934 /nfs/dbraw/zinc/81/99/34/570819934.db2.gz YSKCONOKSZLJEZ-UHFFFAOYSA-N 0 0 378.406 2.716 50 5 GFBARN Cc1cc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)nc2c3ccccc3oc(=O)c12 ZINC000022610597 570914056 /nfs/dbraw/zinc/91/40/56/570914056.db2.gz AKFBLLOQOTUERN-ZIAGYGMSSA-N 0 0 381.432 2.697 50 5 GFBARN O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000046857051 570934932 /nfs/dbraw/zinc/93/49/32/570934932.db2.gz RBFGXFNFMSHKTK-RHSMWYFYSA-N 0 0 376.409 2.698 50 5 GFBARN Cc1c(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)cccc1[N+](=O)[O-] ZINC000047354126 570954188 /nfs/dbraw/zinc/95/41/88/570954188.db2.gz UMMXEZKDSNTLFL-HXUWFJFHSA-N 0 0 397.387 2.685 50 5 GFBARN COc1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004740544 570954898 /nfs/dbraw/zinc/95/48/98/570954898.db2.gz DXRJLBPYHDGTSQ-UHFFFAOYSA-N 0 0 378.406 2.547 50 5 GFBARN CC[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CCO1 ZINC000037477372 571016209 /nfs/dbraw/zinc/01/62/09/571016209.db2.gz OFKGHLMWYMYOCU-LSDHHAIUSA-N 0 0 397.497 2.631 50 5 GFBARN COC(=O)c1cc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000229865967 222713467 /nfs/dbraw/zinc/71/34/67/222713467.db2.gz YLBBASGDYUZGAP-CZUORRHYSA-N 0 0 392.433 2.772 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000000714711 206319235 /nfs/dbraw/zinc/31/92/35/206319235.db2.gz BBJDVNHSRIQJNV-UHFFFAOYSA-N 0 0 393.277 2.848 50 5 GFBARN CC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000000777975 206320366 /nfs/dbraw/zinc/32/03/66/206320366.db2.gz DFSNYFIXFWVLLH-SECBINFHSA-N 0 0 385.660 2.714 50 5 GFBARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 ZINC000001045417 206345814 /nfs/dbraw/zinc/34/58/14/206345814.db2.gz XWXHRRJHPBWPLP-INIZCTEOSA-N 0 0 391.177 2.770 50 5 GFBARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010218747 206375992 /nfs/dbraw/zinc/37/59/92/206375992.db2.gz MSOVOGGJWCSCEZ-UHFFFAOYSA-N 0 0 378.406 2.796 50 5 GFBARN Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004818995 206557368 /nfs/dbraw/zinc/55/73/68/206557368.db2.gz ZAHFCIWAEQRKJY-UHFFFAOYSA-N 0 0 384.461 2.740 50 5 GFBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1 ZINC000005655979 206622439 /nfs/dbraw/zinc/62/24/39/206622439.db2.gz VIEMPWBIESWJIM-UHFFFAOYSA-N 0 0 380.759 2.903 50 5 GFBARN COc1ccc(F)cc1COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005708575 206626369 /nfs/dbraw/zinc/62/63/69/206626369.db2.gz OSENVKKNMVGZPT-UHFFFAOYSA-N 0 0 390.367 2.936 50 5 GFBARN CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000009971601 206804336 /nfs/dbraw/zinc/80/43/36/206804336.db2.gz BNRPUAQMFHYOKP-UHFFFAOYSA-N 0 0 381.439 2.772 50 5 GFBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000010810151 206817773 /nfs/dbraw/zinc/81/77/73/206817773.db2.gz YFLXTYQONIJQAL-GFCCVEGCSA-N 0 0 386.383 2.934 50 5 GFBARN CN(C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000011851781 206838332 /nfs/dbraw/zinc/83/83/32/206838332.db2.gz YNDRNJIBYJGZCK-NSHDSACASA-N 0 0 398.824 2.767 50 5 GFBARN CN(CC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000012736766 206928861 /nfs/dbraw/zinc/92/88/61/206928861.db2.gz XMGSIFSUAOSCPI-UHFFFAOYSA-N 0 0 397.497 2.632 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000014095302 207009607 /nfs/dbraw/zinc/00/96/07/207009607.db2.gz HOMZSJFCOACCSD-CYBMUJFWSA-N 0 0 382.376 2.631 50 5 GFBARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)nn1 ZINC000015880783 207066234 /nfs/dbraw/zinc/06/62/34/207066234.db2.gz KPDPCRNBRUPLIP-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(O)c1 ZINC000018042377 207092619 /nfs/dbraw/zinc/09/26/19/207092619.db2.gz FPUUQQZKGCOCSO-UHFFFAOYSA-N 0 0 391.811 2.925 50 5 GFBARN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020045122 207176376 /nfs/dbraw/zinc/17/63/76/207176376.db2.gz SQBZTWHVCKWEAY-UHFFFAOYSA-N 0 0 384.223 2.583 50 5 GFBARN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000020295329 207186068 /nfs/dbraw/zinc/18/60/68/207186068.db2.gz DFXUFBVSZPXCCV-UHFFFAOYSA-N 0 0 384.392 2.769 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020744787 207213993 /nfs/dbraw/zinc/21/39/93/207213993.db2.gz YFWGXKVCCVHPLD-HNNXBMFYSA-N 0 0 392.375 2.684 50 5 GFBARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cccc1[N+](=O)[O-] ZINC000024300315 207290314 /nfs/dbraw/zinc/29/03/14/207290314.db2.gz RMXOOJTYTABHQZ-UHFFFAOYSA-N 0 0 381.432 2.796 50 5 GFBARN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000026540738 207316554 /nfs/dbraw/zinc/31/65/54/207316554.db2.gz VGOUWUHTYZIYHX-UHFFFAOYSA-N 0 0 391.449 2.679 50 5 GFBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(Cc2ccncc2)CC1 ZINC000028623576 207345719 /nfs/dbraw/zinc/34/57/19/207345719.db2.gz JULRIKDEFXNXJL-UHFFFAOYSA-N 0 0 381.436 2.522 50 5 GFBARN CC(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000070005689 207930432 /nfs/dbraw/zinc/93/04/32/207930432.db2.gz YGAPVHUOVBVQNN-UHFFFAOYSA-N 0 0 388.468 2.890 50 5 GFBARN CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100627817 208377737 /nfs/dbraw/zinc/37/77/37/208377737.db2.gz LBYTYTFRIQXMQJ-UHFFFAOYSA-N 0 0 379.464 2.519 50 5 GFBARN CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccc(C)cn1c2=O ZINC000100627818 208378251 /nfs/dbraw/zinc/37/82/51/208378251.db2.gz OPNJQCPNEBZGJD-UHFFFAOYSA-N 0 0 379.464 2.519 50 5 GFBARN CCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccc(C)cn1c2=O ZINC000100810798 208380709 /nfs/dbraw/zinc/38/07/09/208380709.db2.gz FDDXAMQRNIENTP-UHFFFAOYSA-N 0 0 393.491 2.910 50 5 GFBARN Cc1nc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2 ZINC000100916470 208383422 /nfs/dbraw/zinc/38/34/22/208383422.db2.gz VKLVUOYTJOZIEC-INIZCTEOSA-N 0 0 398.444 2.996 50 5 GFBARN COC(=O)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000047628130 208445979 /nfs/dbraw/zinc/44/59/79/208445979.db2.gz QKEACYMAFMQYMD-UHFFFAOYSA-N 0 0 382.376 2.820 50 5 GFBARN Cc1sc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000048342717 208448272 /nfs/dbraw/zinc/44/82/72/208448272.db2.gz DIDYMADTXMRHPI-JTQLQIEISA-N 0 0 397.478 2.706 50 5 GFBARN Cc1c(NC(=O)[C@@H](C)Oc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000010797693 208760125 /nfs/dbraw/zinc/76/01/25/208760125.db2.gz AMEDUCRSPAMODA-CQSZACIVSA-N 0 0 396.403 2.799 50 5 GFBARN CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000011613306 208764957 /nfs/dbraw/zinc/76/49/57/208764957.db2.gz PHVCACOULDPXGP-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN CCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000058014251 136154183 /nfs/dbraw/zinc/15/41/83/136154183.db2.gz MHZFGKBJLXEIEW-UHFFFAOYSA-N 0 0 388.468 2.716 50 5 GFBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004232379 136193820 /nfs/dbraw/zinc/19/38/20/136193820.db2.gz QPOKVDNLTKYQMX-UHFFFAOYSA-N 0 0 392.415 2.916 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000004851779 136196738 /nfs/dbraw/zinc/19/67/38/136196738.db2.gz JWKCPTIKJBKWQF-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN COc1ccc(S(=O)(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000002689584 518159039 /nfs/dbraw/zinc/15/90/39/518159039.db2.gz WPCKZCAIQRTZRN-UHFFFAOYSA-N 0 0 391.357 2.551 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010185 526078134 /nfs/dbraw/zinc/07/81/34/526078134.db2.gz ROMALMYWVULERQ-YOEHRIQHSA-N 0 0 385.420 2.544 50 5 GFBARN CC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004531814 526844710 /nfs/dbraw/zinc/84/47/10/526844710.db2.gz ZNKWACYHILXUCL-VIFPVBQESA-N 0 0 385.660 2.714 50 5 GFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1F ZINC000003232829 551092254 /nfs/dbraw/zinc/09/22/54/551092254.db2.gz IQYHFAFWNQQSAZ-UHFFFAOYSA-N 0 0 387.117 2.885 50 5 GFBARN O=C(NCCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1Br ZINC000170593838 551635802 /nfs/dbraw/zinc/63/58/02/551635802.db2.gz KPFSYILCQLMYFO-LLVKDONJSA-N 0 0 387.230 2.530 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012818265 570231770 /nfs/dbraw/zinc/23/17/70/570231770.db2.gz PUUKEECQKMXLOH-UHFFFAOYSA-N 0 0 399.432 2.664 50 5 GFBARN COc1ccc(OCCN(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000048354152 570241328 /nfs/dbraw/zinc/24/13/28/570241328.db2.gz HRWHEGOMSKIBBK-UHFFFAOYSA-N 0 0 383.408 2.830 50 5 GFBARN Cn1c2cn(-c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000035167212 570242697 /nfs/dbraw/zinc/24/26/97/570242697.db2.gz VFCLTTFORHNLJS-UHFFFAOYSA-N 0 0 376.372 2.603 50 5 GFBARN Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000010959242 570389215 /nfs/dbraw/zinc/38/92/15/570389215.db2.gz UNHLYWHPTDWKQQ-UHFFFAOYSA-N 0 0 386.433 2.627 50 5 GFBARN COc1ccc(OC)c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000005082796 570414421 /nfs/dbraw/zinc/41/44/21/570414421.db2.gz YCWFFTKRHDKQDA-UHFFFAOYSA-N 0 0 378.312 2.547 50 5 GFBARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005090792 570414825 /nfs/dbraw/zinc/41/48/25/570414825.db2.gz YOJVQLSDBWHDAK-UHFFFAOYSA-N 0 0 379.372 2.664 50 5 GFBARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000005118646 570420324 /nfs/dbraw/zinc/42/03/24/570420324.db2.gz KWKYEIBVXKPXNI-UHFFFAOYSA-N 0 0 395.774 2.863 50 5 GFBARN COc1ccc([C@@H]2OC(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000064819845 570554991 /nfs/dbraw/zinc/55/49/91/570554991.db2.gz VTJBFQXXQDHHRE-KRWDZBQOSA-N 0 0 386.320 2.751 50 5 GFBARN O=C(Nc1cccnc1-n1cccn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025012222 570664457 /nfs/dbraw/zinc/66/44/57/570664457.db2.gz MPZACNHNHAMDTH-UHFFFAOYSA-N 0 0 375.348 2.614 50 5 GFBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)nc3[nH]c4ccccc4n3c2N1 ZINC000004624389 570701338 /nfs/dbraw/zinc/70/13/38/570701338.db2.gz LZBSHLXLPNCTMF-GFCCVEGCSA-N 0 0 375.344 2.970 50 5 GFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])NC(=O)c1ccc(OC(F)F)cc1 ZINC000012790685 570713715 /nfs/dbraw/zinc/71/37/15/570713715.db2.gz ZCKFPUUSGBKGPV-UHFFFAOYSA-N 0 0 384.266 2.671 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c([N+](=O)[O-])cc1C ZINC000004469388 570790834 /nfs/dbraw/zinc/79/08/34/570790834.db2.gz CKHBNYQVUIYOFK-UHFFFAOYSA-N 0 0 388.424 2.651 50 5 GFBARN C[C@H](NS(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000034738864 570795786 /nfs/dbraw/zinc/79/57/86/570795786.db2.gz BZQYJKHBJVGRLA-MORSLUCNSA-N 0 0 391.449 2.562 50 5 GFBARN NC(=O)C1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000032780779 570808376 /nfs/dbraw/zinc/80/83/76/570808376.db2.gz DQKKMSXIHRCMKY-UHFFFAOYSA-N 0 0 377.784 2.846 50 5 GFBARN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000007265094 570822018 /nfs/dbraw/zinc/82/20/18/570822018.db2.gz WQVVMFCOQJVTJT-UHFFFAOYSA-N 0 0 377.422 2.714 50 5 GFBARN C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000012537815 570837059 /nfs/dbraw/zinc/83/70/59/570837059.db2.gz WVQCDRYBOZVONV-CQSZACIVSA-N 0 0 380.876 2.771 50 5 GFBARN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(O)c1 ZINC000170598345 570857052 /nfs/dbraw/zinc/85/70/52/570857052.db2.gz WIKWAIFDGMPFIR-HNNXBMFYSA-N 0 0 394.767 2.607 50 5 GFBARN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000012560991 570865268 /nfs/dbraw/zinc/86/52/68/570865268.db2.gz QMFXDOJSZPBSNO-UHFFFAOYSA-N 0 0 375.406 2.831 50 5 GFBARN O=C(CN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000042110096 570885954 /nfs/dbraw/zinc/88/59/54/570885954.db2.gz DKXFNYWWMZOKEA-UHFFFAOYSA-N 0 0 397.479 2.668 50 5 GFBARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 ZINC000004059299 570926345 /nfs/dbraw/zinc/92/63/45/570926345.db2.gz PQSWUFGNXIRHFJ-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN CC[C@@H]1CN(C(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)CCO1 ZINC000023190166 570945922 /nfs/dbraw/zinc/94/59/22/570945922.db2.gz BVNNLFXRALDHOQ-CZUORRHYSA-N 0 0 397.859 2.640 50 5 GFBARN CCOC(=O)c1cnc(Sc2c(C)cc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N ZINC000002161371 570982040 /nfs/dbraw/zinc/98/20/40/570982040.db2.gz QOCLZXLTNPIXEM-UHFFFAOYSA-N 0 0 379.354 2.512 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1 ZINC000004811002 570997758 /nfs/dbraw/zinc/99/77/58/570997758.db2.gz RBFUWEFMMAOSCX-SFHVURJKSA-N 0 0 396.403 2.548 50 5 GFBARN COc1cc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000007633117 571008553 /nfs/dbraw/zinc/00/85/53/571008553.db2.gz MPYXHEMDPQPLCT-LBPRGKRZSA-N 0 0 380.397 2.560 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000012463423 654500886 /nfs/dbraw/zinc/50/08/86/654500886.db2.gz CMMXSEOCUPJBKC-BHTHQVBYSA-N 0 0 393.193 2.580 50 5 GFBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328586850 206230468 /nfs/dbraw/zinc/23/04/68/206230468.db2.gz ZBFPDXPMVWULPJ-KRWDZBQOSA-N 0 0 394.391 2.670 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000845623 206326843 /nfs/dbraw/zinc/32/68/43/206326843.db2.gz ZUIIKXSJXVPQKJ-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1[N+](=O)[O-] ZINC000000907262 206333418 /nfs/dbraw/zinc/33/34/18/206333418.db2.gz XDJMGFNYNMVNGB-UHFFFAOYSA-N 0 0 384.421 2.825 50 5 GFBARN CC1=Nc2nnnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC1CCCCC1 ZINC000001291788 206371508 /nfs/dbraw/zinc/37/15/08/206371508.db2.gz CPEVBMFHRWYMIF-MRXNPFEDSA-N 0 0 384.396 2.746 50 5 GFBARN CC1=Nc2nnnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC1CCCCC1 ZINC000001291983 206372023 /nfs/dbraw/zinc/37/20/23/206372023.db2.gz OFLBQGQLVXGLJT-INIZCTEOSA-N 0 0 384.396 2.746 50 5 GFBARN COc1ccc(OC)c(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000001514031 206384308 /nfs/dbraw/zinc/38/43/08/206384308.db2.gz JZTHCKWQALTXFJ-ZROIWOOFSA-N 0 0 384.344 2.965 50 5 GFBARN C[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000001934910 206394895 /nfs/dbraw/zinc/39/48/95/206394895.db2.gz QREFVEVZJRDUJH-SNVBAGLBSA-N 0 0 389.433 2.898 50 5 GFBARN COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000002055769 206396602 /nfs/dbraw/zinc/39/66/02/206396602.db2.gz QQGKORIXPUYLIE-VIZOYTHASA-N 0 0 399.315 2.865 50 5 GFBARN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000002785698 206434727 /nfs/dbraw/zinc/43/47/27/206434727.db2.gz BVONWUGEZDQHKL-UHFFFAOYSA-N 0 0 397.357 2.792 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000004053471 206499958 /nfs/dbraw/zinc/49/99/58/206499958.db2.gz QHQRGYZFXGGXOH-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 ZINC000003447336 206480552 /nfs/dbraw/zinc/48/05/52/206480552.db2.gz ZINNHLMZHZLFRU-UHFFFAOYSA-N 0 0 375.356 2.588 50 5 GFBARN COc1cc(-c2c3c(nc4c([N+](=O)[O-])c(N)nn42)CCCC3)cc(OC)c1OC ZINC000004581437 206531434 /nfs/dbraw/zinc/53/14/34/206531434.db2.gz PZEWYEVVJXLITI-UHFFFAOYSA-N 0 0 399.407 2.791 50 5 GFBARN Nc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000005710112 206627101 /nfs/dbraw/zinc/62/71/01/206627101.db2.gz KRGZCERCHGADRW-UHFFFAOYSA-N 0 0 397.431 2.815 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000010429136 206812687 /nfs/dbraw/zinc/81/26/87/206812687.db2.gz ZVGHZVNMNBDNNZ-AWEZNQCLSA-N 0 0 382.420 2.952 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1Oc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000012536345 206908423 /nfs/dbraw/zinc/90/84/23/206908423.db2.gz RNSXPIZJEMZOQB-UHFFFAOYSA-N 0 0 379.394 2.575 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000012778078 206937721 /nfs/dbraw/zinc/93/77/21/206937721.db2.gz BYOPMZXDCGPQDO-CYBMUJFWSA-N 0 0 388.399 2.753 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCC(NC(=S)NCc3ccc(F)cc3)CC2)nc1 ZINC000018217955 207095197 /nfs/dbraw/zinc/09/51/97/207095197.db2.gz GANZNKJSSYSYTD-UHFFFAOYSA-N 0 0 389.456 2.762 50 5 GFBARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000019598543 207143910 /nfs/dbraw/zinc/14/39/10/207143910.db2.gz PIQQOOOSDQMAOE-UHFFFAOYSA-N 0 0 389.795 2.939 50 5 GFBARN COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019774092 207161222 /nfs/dbraw/zinc/16/12/22/207161222.db2.gz WEQTVRLYFDPABL-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] ZINC000019807840 207163649 /nfs/dbraw/zinc/16/36/49/207163649.db2.gz KRKIQPBCGRJHLI-UHFFFAOYSA-N 0 0 383.404 2.590 50 5 GFBARN Cc1ccccc1-n1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C ZINC000020443129 207192786 /nfs/dbraw/zinc/19/27/86/207192786.db2.gz PLJVPMMKUOTQLO-UHFFFAOYSA-N 0 0 390.399 2.912 50 5 GFBARN CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000021325115 207228824 /nfs/dbraw/zinc/22/88/24/207228824.db2.gz GIOZDAOQIMXFBB-UHFFFAOYSA-N 0 0 383.813 2.507 50 5 GFBARN O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023171729 207271037 /nfs/dbraw/zinc/27/10/37/207271037.db2.gz LZDMEGOJDWPHLF-UHFFFAOYSA-N 0 0 388.855 2.800 50 5 GFBARN CCc1c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000024562384 207291317 /nfs/dbraw/zinc/29/13/17/207291317.db2.gz ABEMOOIPZSBZKB-LJQANCHMSA-N 0 0 398.394 2.945 50 5 GFBARN O=C(NC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000025740621 207305994 /nfs/dbraw/zinc/30/59/94/207305994.db2.gz ZWPMBBAOFIEUSP-UHFFFAOYSA-N 0 0 385.395 2.697 50 5 GFBARN O=C(Cc1csc(Cc2ccccn2)n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000040131487 207345147 /nfs/dbraw/zinc/34/51/47/207345147.db2.gz IIXBEBAVABTSQY-UHFFFAOYSA-N 0 0 397.460 2.808 50 5 GFBARN O=C(NCCOC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032100514 207391966 /nfs/dbraw/zinc/39/19/66/207391966.db2.gz UEBOGMOLDFOSJQ-UHFFFAOYSA-N 0 0 389.324 2.873 50 5 GFBARN CN(C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000095436637 208182022 /nfs/dbraw/zinc/18/20/22/208182022.db2.gz PMDVQVQTHQIDII-KRWDZBQOSA-N 0 0 378.379 2.704 50 5 GFBARN C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000095445213 208183835 /nfs/dbraw/zinc/18/38/35/208183835.db2.gz GOBQTERLIORSNT-KBPBESRZSA-N 0 0 392.456 2.626 50 5 GFBARN Cc1ccc(OC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000049595375 208454405 /nfs/dbraw/zinc/45/44/05/208454405.db2.gz UMUXDGRKJCKRDX-UHFFFAOYSA-N 0 0 395.371 2.758 50 5 GFBARN COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000005397174 208668044 /nfs/dbraw/zinc/66/80/44/208668044.db2.gz OVLNGKZLBVPFFA-UHFFFAOYSA-N 0 0 398.350 2.605 50 5 GFBARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ncc([N+](=O)[O-])s4)sc3nc12 ZINC000096347305 209014030 /nfs/dbraw/zinc/01/40/30/209014030.db2.gz IQPPOWGIRFNNBX-UHFFFAOYSA-N 0 0 387.402 2.835 50 5 GFBARN O=C(Nc1cnn(C[C@H]2CCCO2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040139430 132399519 /nfs/dbraw/zinc/39/95/19/132399519.db2.gz KKXYRZHZYKWVAM-QGZVFWFLSA-N 0 0 399.451 2.825 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000043827734 132416503 /nfs/dbraw/zinc/41/65/03/132416503.db2.gz CQZGZCAGOSAFCA-GFCCVEGCSA-N 0 0 379.413 2.875 50 5 GFBARN COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@H](COC)C3)n2)C1 ZINC000170610852 536763393 /nfs/dbraw/zinc/76/33/93/536763393.db2.gz PQOLFEDGBNQOJT-CVEARBPZSA-N 0 0 378.473 2.715 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000019943904 551115045 /nfs/dbraw/zinc/11/50/45/551115045.db2.gz RYSCTJBALQQAAJ-UHFFFAOYSA-N 0 0 383.254 2.596 50 5 GFBARN CC(C)N1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047841090 570215859 /nfs/dbraw/zinc/21/58/59/570215859.db2.gz MZQFDLOPQCCKIF-UHFFFAOYSA-N 0 0 375.347 2.702 50 5 GFBARN COc1ccc(-n2nnnc2SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000006058552 570231304 /nfs/dbraw/zinc/23/13/04/570231304.db2.gz VQIXHGJCVGTODC-UHFFFAOYSA-N 0 0 385.405 2.863 50 5 GFBARN O=C(c1cncc(Br)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305842 570232457 /nfs/dbraw/zinc/23/24/57/570232457.db2.gz NNGWDWWTKJIKQZ-UHFFFAOYSA-N 0 0 391.225 2.715 50 5 GFBARN COc1ccc(CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000006087646 570240686 /nfs/dbraw/zinc/24/06/86/570240686.db2.gz SNZOKKMCHPFAAK-UHFFFAOYSA-N 0 0 386.813 2.744 50 5 GFBARN Cc1ccsc1CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000004839559 570306987 /nfs/dbraw/zinc/30/69/87/570306987.db2.gz LSNBOYNMJYSLMV-ZDUSSCGKSA-N 0 0 394.474 2.794 50 5 GFBARN COc1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1OC ZINC000006259235 570351752 /nfs/dbraw/zinc/35/17/52/570351752.db2.gz VAWOSQKWROMQLY-UHFFFAOYSA-N 0 0 375.333 2.836 50 5 GFBARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004872694 570351923 /nfs/dbraw/zinc/35/19/23/570351923.db2.gz ASZFGTQJBCNTIB-UHFFFAOYSA-N 0 0 377.347 2.601 50 5 GFBARN CCOc1ccc(-c2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 ZINC000006355383 570397122 /nfs/dbraw/zinc/39/71/22/570397122.db2.gz XLCUHXFUWXXVSL-LFIBNONCSA-N 0 0 394.412 2.673 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005073790 570411207 /nfs/dbraw/zinc/41/12/07/570411207.db2.gz SPJUXAWQVCIYDC-QGZVFWFLSA-N 0 0 389.433 2.695 50 5 GFBARN CCNC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000035744913 570439326 /nfs/dbraw/zinc/43/93/26/570439326.db2.gz RFHGFSJOLWQQFV-UHFFFAOYSA-N 0 0 397.435 2.699 50 5 GFBARN O=C(Cc1ccc2c(c1)OCCO2)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006560024 570476991 /nfs/dbraw/zinc/47/69/91/570476991.db2.gz XCBURVSGMCTRDY-UHFFFAOYSA-N 0 0 397.343 2.702 50 5 GFBARN COc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc21 ZINC000005181714 570495960 /nfs/dbraw/zinc/49/59/60/570495960.db2.gz QMFNQLFSFQJFTO-UHFFFAOYSA-N 0 0 388.405 2.769 50 5 GFBARN COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006623551 570507306 /nfs/dbraw/zinc/50/73/06/570507306.db2.gz LVWPAUSPVAKIDH-ZDUSSCGKSA-N 0 0 379.438 2.520 50 5 GFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1cc(-c2ccco2)on1 ZINC000008505629 570681172 /nfs/dbraw/zinc/68/11/72/570681172.db2.gz ZVVKCACKXIHDPI-UHFFFAOYSA-N 0 0 385.332 2.706 50 5 GFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCc1nc(-c2ccccc2)no1 ZINC000025397881 570750228 /nfs/dbraw/zinc/75/02/28/570750228.db2.gz PUUFCUIAVRGMLP-UHFFFAOYSA-N 0 0 378.344 2.874 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000022024351 570777842 /nfs/dbraw/zinc/77/78/42/570777842.db2.gz ZCJAKFIKXBOEOY-UHFFFAOYSA-N 0 0 379.298 2.515 50 5 GFBARN COc1ccc(N2C[C@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC ZINC000032769193 570803899 /nfs/dbraw/zinc/80/38/99/570803899.db2.gz GEUVIFSVRHDLBW-CYBMUJFWSA-N 0 0 399.403 2.628 50 5 GFBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)c(Cl)c1 ZINC000005689641 570811215 /nfs/dbraw/zinc/81/12/15/570811215.db2.gz MJMSFOSYQBNUAM-UHFFFAOYSA-N 0 0 382.779 2.842 50 5 GFBARN COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000007218596 570816863 /nfs/dbraw/zinc/81/68/63/570816863.db2.gz LJAZQWHZDOIOLM-UHFFFAOYSA-N 0 0 380.422 2.741 50 5 GFBARN Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000007229575 570817738 /nfs/dbraw/zinc/81/77/38/570817738.db2.gz MICCANQYQYFJMV-UHFFFAOYSA-N 0 0 390.827 2.679 50 5 GFBARN Cc1c(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000012512644 570824624 /nfs/dbraw/zinc/82/46/24/570824624.db2.gz LNEGHBSFRMTQII-UHFFFAOYSA-N 0 0 398.463 2.810 50 5 GFBARN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1NC(C)=O ZINC000024437824 570848782 /nfs/dbraw/zinc/84/87/82/570848782.db2.gz CUBJLJAOHRVSIU-UHFFFAOYSA-N 0 0 393.421 2.979 50 5 GFBARN CC(C)N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000102861364 570869547 /nfs/dbraw/zinc/86/95/47/570869547.db2.gz AKXLHONTKXYEAI-KZNAEPCWSA-N 0 0 381.388 2.850 50 5 GFBARN COc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000004089084 570896445 /nfs/dbraw/zinc/89/64/45/570896445.db2.gz WNUQZLLEIBNFQP-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000012643830 570933851 /nfs/dbraw/zinc/93/38/51/570933851.db2.gz UPOFSVUKMJLDGE-LBPRGKRZSA-N 0 0 388.380 2.675 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000043127023 570949108 /nfs/dbraw/zinc/94/91/08/570949108.db2.gz KIIYKCITTROJIC-UHFFFAOYSA-N 0 0 392.456 2.760 50 5 GFBARN CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000047539586 570963589 /nfs/dbraw/zinc/96/35/89/570963589.db2.gz ISDAWOMXBBDHRO-UHFFFAOYSA-N 0 0 378.429 2.522 50 5 GFBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328586851 206230659 /nfs/dbraw/zinc/23/06/59/206230659.db2.gz ZBFPDXPMVWULPJ-QGZVFWFLSA-N 0 0 394.391 2.670 50 5 GFBARN COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000003338589 206291545 /nfs/dbraw/zinc/29/15/45/206291545.db2.gz NAWKRZQHTAFPIY-MDWZMJQESA-N 0 0 382.328 2.719 50 5 GFBARN O=C(c1ccncc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000677137 206315536 /nfs/dbraw/zinc/31/55/36/206315536.db2.gz PWZHPWZLBCFGLJ-HNNXBMFYSA-N 0 0 380.282 2.599 50 5 GFBARN CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000687123 206316734 /nfs/dbraw/zinc/31/67/34/206316734.db2.gz WUAOZMJVYZMPQK-SFHVURJKSA-N 0 0 397.387 2.932 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N1NC(C(F)(F)F)=C[C@@]1(O)c1cccnc1 ZINC000000827424 206325130 /nfs/dbraw/zinc/32/51/30/206325130.db2.gz NHKJREQESKCBEP-OAHLLOKOSA-N 0 0 380.282 2.599 50 5 GFBARN Cn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000001060178 206347041 /nfs/dbraw/zinc/34/70/41/206347041.db2.gz VKXORSBRGTXMCB-UHFFFAOYSA-N 0 0 390.446 2.945 50 5 GFBARN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2c(c1)OCO2 ZINC000001055543 206347060 /nfs/dbraw/zinc/34/70/60/206347060.db2.gz TZISRIHNGPCDCX-JTQLQIEISA-N 0 0 382.328 2.921 50 5 GFBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2ccccc21 ZINC000001056247 206347514 /nfs/dbraw/zinc/34/75/14/206347514.db2.gz ZVEMOPZXXKFWSQ-UHFFFAOYSA-N 0 0 375.340 2.983 50 5 GFBARN NC(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001080728 206350694 /nfs/dbraw/zinc/35/06/94/206350694.db2.gz QVINSOLYTBDSSZ-UHFFFAOYSA-N 0 0 390.295 2.780 50 5 GFBARN O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000001130897 206357040 /nfs/dbraw/zinc/35/70/40/206357040.db2.gz UMKYDKNDEPRTIS-UHFFFAOYSA-N 0 0 390.812 2.955 50 5 GFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2cc(Cl)ccc2c(=O)o1 ZINC000001134626 206357371 /nfs/dbraw/zinc/35/73/71/206357371.db2.gz RKGFDNWJYLWOGY-UHFFFAOYSA-N 0 0 385.719 2.546 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000001129947 206357566 /nfs/dbraw/zinc/35/75/66/206357566.db2.gz PMPLVNBOBHAPMS-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccccc2F)CC1 ZINC000001430461 206380921 /nfs/dbraw/zinc/38/09/21/206380921.db2.gz NIWVQHPFESZLQO-UHFFFAOYSA-N 0 0 397.362 2.803 50 5 GFBARN Cc1cccc(OCCOC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000002661642 206427445 /nfs/dbraw/zinc/42/74/45/206427445.db2.gz SOEHQTYHELRQMR-UHFFFAOYSA-N 0 0 379.390 2.543 50 5 GFBARN COc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000005246111 206601973 /nfs/dbraw/zinc/60/19/73/206601973.db2.gz FEHMWJLVTBFGNU-BZPMIXESSA-N 0 0 394.424 2.852 50 5 GFBARN O=c1cc(COc2ccccc2[N+](=O)[O-])nc2ccc(Br)cn12 ZINC000005216463 206600314 /nfs/dbraw/zinc/60/03/14/206600314.db2.gz UVVBEBVWWXLVQA-UHFFFAOYSA-N 0 0 376.166 2.944 50 5 GFBARN NC(=O)c1ccc(SCC(=O)N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000006882225 206691016 /nfs/dbraw/zinc/69/10/16/206691016.db2.gz QAQYQQPFNUBJML-HNNXBMFYSA-N 0 0 385.445 2.980 50 5 GFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000015633111 207053400 /nfs/dbraw/zinc/05/34/00/207053400.db2.gz SSRLTNWPSFFWHS-UHFFFAOYSA-N 0 0 398.350 2.622 50 5 GFBARN O=C(CCc1cnn(-c2ccccc2)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000015834910 207063737 /nfs/dbraw/zinc/06/37/37/207063737.db2.gz WBWYYFNUVNWSAV-UHFFFAOYSA-N 0 0 379.420 2.941 50 5 GFBARN Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000016737819 207076788 /nfs/dbraw/zinc/07/67/88/207076788.db2.gz LXFMTQGEVSQFLO-UHFFFAOYSA-N 0 0 381.458 2.766 50 5 GFBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(CCn3cc([N+](=O)[O-])cn3)nc12 ZINC000017080554 207085169 /nfs/dbraw/zinc/08/51/69/207085169.db2.gz OKCZNPQAPQBFSK-UHFFFAOYSA-N 0 0 394.420 2.851 50 5 GFBARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018244180 207097426 /nfs/dbraw/zinc/09/74/26/207097426.db2.gz NRAHVXLVKQBDTI-RYUDHWBXSA-N 0 0 377.784 2.528 50 5 GFBARN O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019841854 207166255 /nfs/dbraw/zinc/16/62/55/207166255.db2.gz YKMRTCBVOUQJIV-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN COCCN1CCn2c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3nc2C1 ZINC000020518107 207200737 /nfs/dbraw/zinc/20/07/37/207200737.db2.gz HADYMJYLPMTLHY-UHFFFAOYSA-N 0 0 395.419 2.659 50 5 GFBARN Cn1c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc2cc([N+](=O)[O-])ccc21 ZINC000020519470 207201322 /nfs/dbraw/zinc/20/13/22/207201322.db2.gz UAWBPVITKOTZSA-UHFFFAOYSA-N 0 0 397.410 2.579 50 5 GFBARN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023732322 207281201 /nfs/dbraw/zinc/28/12/01/207281201.db2.gz POPOQOUJJYCOMF-UHFFFAOYSA-N 0 0 399.270 2.705 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000040113273 207342596 /nfs/dbraw/zinc/34/25/96/207342596.db2.gz MKIJTMVWWBVXCJ-UHFFFAOYSA-N 0 0 391.786 2.986 50 5 GFBARN CC(C)OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000031071092 207380117 /nfs/dbraw/zinc/38/01/17/207380117.db2.gz NWSOWOIRVFAOPS-INIZCTEOSA-N 0 0 392.433 2.956 50 5 GFBARN COCc1c2ccccc2oc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000032837607 207413289 /nfs/dbraw/zinc/41/32/89/207413289.db2.gz PTQBCZOCZNLHQS-UHFFFAOYSA-N 0 0 384.344 2.943 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000032894228 207415568 /nfs/dbraw/zinc/41/55/68/207415568.db2.gz LDVWICJRLCJROH-LJQANCHMSA-N 0 0 379.416 2.784 50 5 GFBARN Cc1nn2c(nc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2=O)s1 ZINC000043272950 207629198 /nfs/dbraw/zinc/62/91/98/207629198.db2.gz CZDJMFCWLOULNY-UHFFFAOYSA-N 0 0 379.829 2.653 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](CCO)c1ccccc1 ZINC000079111844 208073599 /nfs/dbraw/zinc/07/35/99/208073599.db2.gz CVFNFDWSTXGBIH-ZDUSSCGKSA-N 0 0 384.841 2.693 50 5 GFBARN CC[C@@H](C)n1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O ZINC000100811541 208380961 /nfs/dbraw/zinc/38/09/61/208380961.db2.gz OWMBHLIEYUBPPF-CYBMUJFWSA-N 0 0 379.464 2.772 50 5 GFBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N ZINC000100318725 208373527 /nfs/dbraw/zinc/37/35/27/208373527.db2.gz HJTNYUYTMGJAIY-UHFFFAOYSA-N 0 0 388.427 2.548 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000006830825 208684703 /nfs/dbraw/zinc/68/47/03/208684703.db2.gz QYVWECXJQHQMGJ-XJKSGUPXSA-N 0 0 393.440 2.505 50 5 GFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000058162580 208854368 /nfs/dbraw/zinc/85/43/68/208854368.db2.gz AWRZFOQYLGVWHP-UHFFFAOYSA-N 0 0 378.429 2.720 50 5 GFBARN CN(C)C(=O)c1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025152196 208877133 /nfs/dbraw/zinc/87/71/33/208877133.db2.gz LLZIUUKJBKROGZ-UHFFFAOYSA-N 0 0 379.376 2.735 50 5 GFBARN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000225462019 208954118 /nfs/dbraw/zinc/95/41/18/208954118.db2.gz BVGNGNPXHPBRPS-JSGCOSHPSA-N 0 0 392.456 2.861 50 5 GFBARN Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000008767929 221057143 /nfs/dbraw/zinc/05/71/43/221057143.db2.gz GUPCGRJHLVOHEV-IRXDYDNUSA-N 0 0 387.417 2.515 50 5 GFBARN CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 ZINC000012528461 136200474 /nfs/dbraw/zinc/20/04/74/136200474.db2.gz MMTICJQWHXYQAW-UHFFFAOYSA-N 0 0 396.447 2.502 50 5 GFBARN O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000004377282 560198292 /nfs/dbraw/zinc/19/82/92/560198292.db2.gz UASIRTUMPRQVFY-UHFFFAOYSA-N 0 0 385.357 2.850 50 5 in-vitro GFBARN COc1ccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000048237684 570222303 /nfs/dbraw/zinc/22/23/03/570222303.db2.gz ATVFFVWEQYCUAR-UHFFFAOYSA-N 0 0 383.404 2.851 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000006111477 570247274 /nfs/dbraw/zinc/24/72/74/570247274.db2.gz DNXHHGJQOVSUKN-UHFFFAOYSA-N 0 0 384.417 2.802 50 5 GFBARN CCOC(=O)c1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000024687094 570278973 /nfs/dbraw/zinc/27/89/73/570278973.db2.gz FLFPLALAIQANKJ-UHFFFAOYSA-N 0 0 399.407 2.521 50 5 GFBARN Cc1[nH]cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(=O)c1Br ZINC000119763334 570303620 /nfs/dbraw/zinc/30/36/20/570303620.db2.gz HXOVZSYRGWTELR-UHFFFAOYSA-N 0 0 392.209 2.965 50 5 GFBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCc1cccs1 ZINC000004840318 570312590 /nfs/dbraw/zinc/31/25/90/570312590.db2.gz PEXYWNVTXMZTBJ-UHFFFAOYSA-N 0 0 389.433 2.730 50 5 GFBARN O=C(NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccc(F)cc1 ZINC000005003428 570393403 /nfs/dbraw/zinc/39/34/03/570393403.db2.gz NSYSXUZCLBKKEN-UHFFFAOYSA-N 0 0 379.303 2.828 50 5 GFBARN C[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593283 570399229 /nfs/dbraw/zinc/39/92/29/570399229.db2.gz TUHWLSCTTFSKOE-GDBMZVCRSA-N 0 0 396.513 2.522 50 5 GFBARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000005041260 570404459 /nfs/dbraw/zinc/40/44/59/570404459.db2.gz ANLUMXPFTQZUQP-UHFFFAOYSA-N 0 0 389.795 2.939 50 5 GFBARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000006431762 570417241 /nfs/dbraw/zinc/41/72/41/570417241.db2.gz PYBACOQDAVFFJW-HXUWFJFHSA-N 0 0 396.403 2.781 50 5 GFBARN CN1CCN(S(=O)(=O)c2ccc(SC3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000035708991 570423733 /nfs/dbraw/zinc/42/37/33/570423733.db2.gz GDCNPZDHUJNQGL-UHFFFAOYSA-N 0 0 385.511 2.566 50 5 GFBARN CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252515533 570476267 /nfs/dbraw/zinc/47/62/67/570476267.db2.gz LENFXYUXWSENLQ-ZLKJLUDKSA-N 0 0 390.408 2.841 50 5 GFBARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005523491 570625917 /nfs/dbraw/zinc/62/59/17/570625917.db2.gz NSJLRNHCOQREEG-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005556666 570639635 /nfs/dbraw/zinc/63/96/35/570639635.db2.gz BHVRKZOUHOFJHI-KRWDZBQOSA-N 0 0 380.356 2.893 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000006866461 570655707 /nfs/dbraw/zinc/65/57/07/570655707.db2.gz GQGPHCDAAKSLEP-UHFFFAOYSA-N 0 0 393.421 2.923 50 5 GFBARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006874445 570665225 /nfs/dbraw/zinc/66/52/25/570665225.db2.gz FIGFDJWTIYHCRS-UHFFFAOYSA-N 0 0 376.800 2.757 50 5 GFBARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000001171901 570786927 /nfs/dbraw/zinc/78/69/27/570786927.db2.gz ZODUKHPKEPULJR-INIZCTEOSA-N 0 0 391.177 2.770 50 5 GFBARN C[C@H](NS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000034738869 570795605 /nfs/dbraw/zinc/79/56/05/570795605.db2.gz BZQYJKHBJVGRLA-DOPJRALCSA-N 0 0 391.449 2.562 50 5 GFBARN C[C@H](NS(=O)(=O)[C@@H]1CON(C)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000034738621 570795647 /nfs/dbraw/zinc/79/56/47/570795647.db2.gz WHXRHPICPNOLJT-MORSLUCNSA-N 0 0 391.449 2.562 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000032771247 570804705 /nfs/dbraw/zinc/80/47/05/570804705.db2.gz WJVHTRPHOFUSGV-INIZCTEOSA-N 0 0 380.397 2.805 50 5 GFBARN COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000004686458 570828147 /nfs/dbraw/zinc/82/81/47/570828147.db2.gz YBOBINZGPWVRNI-UHFFFAOYSA-N 0 0 383.360 2.618 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012522929 570829674 /nfs/dbraw/zinc/82/96/74/570829674.db2.gz MTUYFLVETUTEFK-UHFFFAOYSA-N 0 0 397.431 2.914 50 5 GFBARN O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101991379 570840444 /nfs/dbraw/zinc/84/04/44/570840444.db2.gz TWJKYTHXLSWGFA-UHFFFAOYSA-N 0 0 392.284 2.843 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000032835955 570845960 /nfs/dbraw/zinc/84/59/60/570845960.db2.gz ZTNJFIPQPKWIDJ-UHFFFAOYSA-N 0 0 395.297 2.595 50 5 GFBARN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1CCOCC1 ZINC000004710827 570855588 /nfs/dbraw/zinc/85/55/88/570855588.db2.gz MBXPKIWZRXEVCT-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000004724050 570862608 /nfs/dbraw/zinc/86/26/08/570862608.db2.gz BDDQMCQKUFJMLS-SFHVURJKSA-N 0 0 390.403 2.792 50 5 GFBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000012561623 570866537 /nfs/dbraw/zinc/86/65/37/570866537.db2.gz RDSRSBQOEXLULA-PIGZYNQJSA-N 0 0 398.371 2.728 50 5 GFBARN O=C1CCC[C@]2(O)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2Cc1ccccc1 ZINC000103490430 570885626 /nfs/dbraw/zinc/88/56/26/570885626.db2.gz CXMOFCQVTLWJRC-ZJOUEHCJSA-N 0 0 395.415 2.919 50 5 GFBARN Cc1sc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000032930494 570944196 /nfs/dbraw/zinc/94/41/96/570944196.db2.gz SAROPFCBAQRBIZ-RYUDHWBXSA-N 0 0 390.465 2.903 50 5 GFBARN COc1ccccc1N1CC2=C(C1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C ZINC000004784018 570988103 /nfs/dbraw/zinc/98/81/03/570988103.db2.gz BJRYDWOJJLEOGL-GOSISDBHSA-N 0 0 394.387 2.600 50 5 GFBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000011466188 571047605 /nfs/dbraw/zinc/04/76/05/571047605.db2.gz GNLIZUYPWHFDJI-LBPRGKRZSA-N 0 0 385.376 2.666 50 5 GFBARN Cc1nn(-c2cc(Sc3nncn3C)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000001068657 206348446 /nfs/dbraw/zinc/34/84/46/206348446.db2.gz ZCIGURGMHOOIDK-UHFFFAOYSA-N 0 0 394.416 2.882 50 5 GFBARN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000001114504 206354055 /nfs/dbraw/zinc/35/40/55/206354055.db2.gz ALOGUGOMVJMBOQ-UHFFFAOYSA-N 0 0 388.405 2.774 50 5 GFBARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000001116135 206354799 /nfs/dbraw/zinc/35/47/99/206354799.db2.gz WQEFBCCCYGECQY-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 ZINC000001392145 206377993 /nfs/dbraw/zinc/37/79/93/206377993.db2.gz OTEHUHFNVVBGEZ-YOEHRIQHSA-N 0 0 385.474 2.636 50 5 GFBARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000001467223 206382985 /nfs/dbraw/zinc/38/29/85/206382985.db2.gz FWYWMSAJUYAINL-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000010327763 206383249 /nfs/dbraw/zinc/38/32/49/206383249.db2.gz NXPNONZGEZJDGP-UHFFFAOYSA-N 0 0 388.811 2.536 50 5 GFBARN COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000001162509 206362479 /nfs/dbraw/zinc/36/24/79/206362479.db2.gz LSPFBSAQWONNRY-KRWDZBQOSA-N 0 0 376.752 2.670 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002053748 206397210 /nfs/dbraw/zinc/39/72/10/206397210.db2.gz HZBFAHUSSAGTBB-UHFFFAOYSA-N 0 0 394.340 2.778 50 5 GFBARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002102321 206399442 /nfs/dbraw/zinc/39/94/42/206399442.db2.gz GIJSNQXLQYHBRI-UHFFFAOYSA-N 0 0 397.796 2.756 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005073791 206589617 /nfs/dbraw/zinc/58/96/17/206589617.db2.gz SPJUXAWQVCIYDC-KRWDZBQOSA-N 0 0 389.433 2.695 50 5 GFBARN CS(=O)(=O)c1ccc(Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000006250485 206646580 /nfs/dbraw/zinc/64/65/80/206646580.db2.gz FQBAYNDTVUWRTO-UHFFFAOYSA-N 0 0 377.422 2.579 50 5 GFBARN CNC(=O)c1ccc(CN(C)C(=O)CCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000007257911 206706705 /nfs/dbraw/zinc/70/67/05/206706705.db2.gz LPSRDHGATXGXDY-UHFFFAOYSA-N 0 0 384.436 2.805 50 5 GFBARN COC(=O)c1sccc1NC(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000013159913 206970003 /nfs/dbraw/zinc/97/00/03/206970003.db2.gz YPNDHSSLOQDXDC-UHFFFAOYSA-N 0 0 378.362 2.547 50 5 GFBARN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000015816692 207061788 /nfs/dbraw/zinc/06/17/88/207061788.db2.gz BBVJFWCSIASLQW-ZIAGYGMSSA-N 0 0 377.441 2.903 50 5 GFBARN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000015816559 207062019 /nfs/dbraw/zinc/06/20/19/207062019.db2.gz JYDHOOKOIVAOGL-CQSZACIVSA-N 0 0 377.441 2.903 50 5 GFBARN C[C@@H]1CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000017835381 207091566 /nfs/dbraw/zinc/09/15/66/207091566.db2.gz VMXHTJMPCSAJOW-AOOOYVTPSA-N 0 0 378.820 2.978 50 5 GFBARN COc1cc(OC)cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000019595042 207143914 /nfs/dbraw/zinc/14/39/14/207143914.db2.gz CLGZHGZJSBRJOI-UHFFFAOYSA-N 0 0 385.420 2.570 50 5 GFBARN CN[C@@H](c1nnnn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000019907501 207170070 /nfs/dbraw/zinc/17/00/70/207170070.db2.gz AOOYOZZBDLZJGC-CQSZACIVSA-N 0 0 389.213 2.642 50 5 GFBARN CCCS(=O)(=O)Nc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000029888367 207366480 /nfs/dbraw/zinc/36/64/80/207366480.db2.gz RTJHJGOGSHZWEK-UHFFFAOYSA-N 0 0 389.433 2.949 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000033028101 207431820 /nfs/dbraw/zinc/43/18/20/207431820.db2.gz BANLDRYHTIITLV-MRXNPFEDSA-N 0 0 383.404 2.527 50 5 GFBARN COc1ccc(CNC(=O)c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000072329385 207996718 /nfs/dbraw/zinc/99/67/18/207996718.db2.gz KTHZVUJXNPPRMA-UHFFFAOYSA-N 0 0 382.376 2.932 50 5 GFBARN O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089807640 208109441 /nfs/dbraw/zinc/10/94/41/208109441.db2.gz VJKKPONMMWYPGR-UHFFFAOYSA-N 0 0 377.303 2.918 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000012544981 208772624 /nfs/dbraw/zinc/77/26/24/208772624.db2.gz YYQGKKMNOPTYFQ-UHFFFAOYSA-N 0 0 393.440 2.943 50 5 GFBARN CCN(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000057997263 208851538 /nfs/dbraw/zinc/85/15/38/208851538.db2.gz MUSMENZDNQRKFO-OAHLLOKOSA-N 0 0 381.454 2.858 50 5 GFBARN Cc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000008767917 221056913 /nfs/dbraw/zinc/05/69/13/221056913.db2.gz YVRMLZZEFHHMOZ-IAGOWNOFSA-N 0 0 387.417 2.515 50 5 GFBARN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000012756313 221226685 /nfs/dbraw/zinc/22/66/85/221226685.db2.gz QCCGAVQXGQTWNJ-TXEJJXNPSA-N 0 0 376.438 2.913 50 5 GFBARN COc1cc(OC)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000041091661 132410656 /nfs/dbraw/zinc/41/06/56/132410656.db2.gz DSUDPCAXVAXMBY-UHFFFAOYSA-N 0 0 387.392 2.701 50 5 GFBARN CCOC(=O)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000010693937 551105788 /nfs/dbraw/zinc/10/57/88/551105788.db2.gz KEYIHVFZOLUKKH-UHFFFAOYSA-N 0 0 382.423 2.880 50 5 GFBARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006052651 570229647 /nfs/dbraw/zinc/22/96/47/570229647.db2.gz GOQJQNPVMOSMSA-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006520987 570276795 /nfs/dbraw/zinc/27/67/95/570276795.db2.gz WGDTVOJXKJFYLK-FHXOWUIVSA-N 0 0 397.387 2.642 50 5 GFBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033391092 570297244 /nfs/dbraw/zinc/29/72/44/570297244.db2.gz PJXAOBRRLJQCFR-WTKPLQERSA-N 0 0 382.376 2.865 50 5 GFBARN CCOC(=O)c1c2c(sc1NC(=O)c1c([N+](=O)[O-])cnn1C)CCCC2 ZINC000000754170 570313317 /nfs/dbraw/zinc/31/33/17/570313317.db2.gz TXJFEOSDFFKDSI-UHFFFAOYSA-N 0 0 378.410 2.698 50 5 GFBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000005053272 570406512 /nfs/dbraw/zinc/40/65/12/570406512.db2.gz HCRYXGIJGFQIFI-NXEZZACHSA-N 0 0 378.820 2.978 50 5 GFBARN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2)N1 ZINC000005063206 570409016 /nfs/dbraw/zinc/40/90/16/570409016.db2.gz XMVKAOBDRKZGMZ-CQSZACIVSA-N 0 0 375.303 2.613 50 5 GFBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC(F)(F)F ZINC000044196282 570410589 /nfs/dbraw/zinc/41/05/89/570410589.db2.gz BPZQPOOGMLMXRE-LLVKDONJSA-N 0 0 381.738 2.681 50 5 GFBARN Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000013012723 570417961 /nfs/dbraw/zinc/41/79/61/570417961.db2.gz RECPGYBGORBMJS-UHFFFAOYSA-N 0 0 386.433 2.627 50 5 GFBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)c1 ZINC000005148270 570427739 /nfs/dbraw/zinc/42/77/39/570427739.db2.gz KXMFEIWCYPVQEZ-UHFFFAOYSA-N 0 0 388.428 2.964 50 5 GFBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000035870296 570468370 /nfs/dbraw/zinc/46/83/70/570468370.db2.gz LOBXIYNHRZDIEH-AZUAARDMSA-N 0 0 398.438 2.738 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c([N+](=O)[O-])cc1C ZINC000006593078 570488704 /nfs/dbraw/zinc/48/87/04/570488704.db2.gz SUFOVYULHCSWKH-LJQANCHMSA-N 0 0 390.440 2.897 50 5 GFBARN COc1ccc(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000006623517 570507228 /nfs/dbraw/zinc/50/72/28/570507228.db2.gz YCSFSYKLELXCBN-UHFFFAOYSA-N 0 0 380.422 2.670 50 5 GFBARN Cn1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 ZINC000006649737 570516526 /nfs/dbraw/zinc/51/65/26/570516526.db2.gz CDLVQGBQXCDFGW-UHFFFAOYSA-N 0 0 379.442 2.637 50 5 GFBARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003262675 570600388 /nfs/dbraw/zinc/60/03/88/570600388.db2.gz WGDTVOJXKJFYLK-NCUBORBFSA-N 0 0 397.387 2.642 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000006830822 570634386 /nfs/dbraw/zinc/63/43/86/570634386.db2.gz QYVWECXJQHQMGJ-CJNGLKHVSA-N 0 0 393.440 2.505 50 5 GFBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1[C@]1(O)c2cc(Cl)ccc2NC1=O ZINC000006848168 570646724 /nfs/dbraw/zinc/64/67/24/570646724.db2.gz MCIHXBKBNNINQO-GOSISDBHSA-N 0 0 399.794 2.513 50 5 GFBARN CCN(CC)Cc1nnc2sc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn12 ZINC000071260550 570673683 /nfs/dbraw/zinc/67/36/83/570673683.db2.gz VQNXMSUFBLRSEG-UHFFFAOYSA-N 0 0 377.386 2.511 50 5 GFBARN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000004622598 570679215 /nfs/dbraw/zinc/67/92/15/570679215.db2.gz FAJFNVJJPZQXPU-CQSZACIVSA-N 0 0 393.440 2.942 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000052537721 570753094 /nfs/dbraw/zinc/75/30/94/570753094.db2.gz ACQRXIMHUIZNKG-UHFFFAOYSA-N 0 0 388.399 2.503 50 5 GFBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000007040301 570756321 /nfs/dbraw/zinc/75/63/21/570756321.db2.gz KGNLAXDBZKOXDV-NSHDSACASA-N 0 0 375.356 2.520 50 5 GFBARN O=C(CSC(=S)N1CCSCC1)n1ncc2cc([N+](=O)[O-])ccc21 ZINC000096602242 570774712 /nfs/dbraw/zinc/77/47/12/570774712.db2.gz YZKNNSHNJVDAFW-UHFFFAOYSA-N 0 0 382.492 2.652 50 5 GFBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1NS(C)(=O)=O ZINC000032753666 570796475 /nfs/dbraw/zinc/79/64/75/570796475.db2.gz AXBPHLHJCWUNEG-UHFFFAOYSA-N 0 0 399.812 2.881 50 5 GFBARN CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)c1 ZINC000004703660 570842894 /nfs/dbraw/zinc/84/28/94/570842894.db2.gz CILYSOYGEDHVNM-UHFFFAOYSA-N 0 0 384.436 2.998 50 5 GFBARN CNc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000032835934 570845791 /nfs/dbraw/zinc/84/57/91/570845791.db2.gz KJQQYZPYQYAKMO-UHFFFAOYSA-N 0 0 394.313 2.628 50 5 GFBARN NS(=O)(=O)c1ccc(OCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000032901722 570898786 /nfs/dbraw/zinc/89/87/86/570898786.db2.gz QBIRKKFCKZBARE-UHFFFAOYSA-N 0 0 387.211 2.584 50 5 GFBARN COc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000012623957 570900298 /nfs/dbraw/zinc/90/02/98/570900298.db2.gz URZAUOZQVATCHK-ZDUSSCGKSA-N 0 0 382.319 2.668 50 5 GFBARN COC(=O)c1cnc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000031893775 570918355 /nfs/dbraw/zinc/91/83/55/570918355.db2.gz ANVZFTKAGKODNJ-UHFFFAOYSA-N 0 0 397.434 2.718 50 5 GFBARN O=C(Nc1cc(=O)[nH]c2nc(-c3ccccc3)nn21)c1cccc([N+](=O)[O-])c1 ZINC000017016149 570923402 /nfs/dbraw/zinc/92/34/02/570923402.db2.gz FYFNYKLADNDUPW-UHFFFAOYSA-N 0 0 376.332 2.657 50 5 GFBARN Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000044653798 570975931 /nfs/dbraw/zinc/97/59/31/570975931.db2.gz GKYXBJIZSGEIEM-CYBMUJFWSA-N 0 0 382.424 2.660 50 5 GFBARN CC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000012775219 571028664 /nfs/dbraw/zinc/02/86/64/571028664.db2.gz DVYYDGBPFCWXCK-UHFFFAOYSA-N 0 0 379.438 2.923 50 5 GFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000002512889 654436895 /nfs/dbraw/zinc/43/68/95/654436895.db2.gz NFQAKTVSSWBRIP-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=[N+]([O-])c1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000002711541 654437432 /nfs/dbraw/zinc/43/74/32/654437432.db2.gz MFROGCZGAHWTOG-UHFFFAOYSA-N 0 0 377.447 2.889 50 5 GFBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000015205365 210153944 /nfs/dbraw/zinc/15/39/44/210153944.db2.gz SFIWDQNBTOLIPH-UHFFFAOYSA-N 0 0 391.449 2.647 50 5 GFBARN COC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 ZINC000015012933 210142843 /nfs/dbraw/zinc/14/28/43/210142843.db2.gz PBUXELIYALLXRJ-VMPITWQZSA-N 0 0 384.344 2.820 50 5 GFBARN CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] ZINC000013154609 210053537 /nfs/dbraw/zinc/05/35/37/210053537.db2.gz ONVZBPNGXVPCMU-XLAORIBOSA-N 0 0 387.392 2.800 50 5 GFBARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000013019835 210048357 /nfs/dbraw/zinc/04/83/57/210048357.db2.gz IYZWDJGVBXEIOT-CQSZACIVSA-N 0 0 381.392 2.774 50 5 GFBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000006552965 209655813 /nfs/dbraw/zinc/65/58/13/209655813.db2.gz PYSAWVYOACXFNS-ZDUSSCGKSA-N 0 0 377.441 2.903 50 5 GFBARN COc1ccc(Cl)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000006509335 209654069 /nfs/dbraw/zinc/65/40/69/209654069.db2.gz SLTYTCJOXFUENZ-UHFFFAOYSA-N 0 0 394.815 2.712 50 5 GFBARN COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccccc1[N+](=O)[O-] ZINC000004072879 209463238 /nfs/dbraw/zinc/46/32/38/209463238.db2.gz LSFNAWQHIJTFHC-UHFFFAOYSA-N 0 0 384.797 2.531 50 5 GFBARN CCn1cnc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1=O ZINC000002921645 209398863 /nfs/dbraw/zinc/39/88/63/209398863.db2.gz JOLXEEBCVSSMFL-UHFFFAOYSA-N 0 0 388.405 2.955 50 5 GFBARN COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C ZINC000002740344 209381545 /nfs/dbraw/zinc/38/15/45/209381545.db2.gz OJBNWZPUGYHSTC-UHFFFAOYSA-N 0 0 378.362 2.790 50 5 GFBARN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 ZINC000001045416 209292392 /nfs/dbraw/zinc/29/23/92/209292392.db2.gz XWXHRRJHPBWPLP-MRXNPFEDSA-N 0 0 391.177 2.770 50 5 GFBARN O=c1sn(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C1Cc2ccccc2C1 ZINC000001029608 209289956 /nfs/dbraw/zinc/28/99/56/209289956.db2.gz ASTMTCVUUGIQLX-UHFFFAOYSA-N 0 0 389.820 2.962 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000682814 209258990 /nfs/dbraw/zinc/25/89/90/209258990.db2.gz XPJMWZGQPYKFAE-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000101356272 211397803 /nfs/dbraw/zinc/39/78/03/211397803.db2.gz GPYKERXVRPIYND-CRJCFHLZSA-N 0 0 393.193 2.580 50 5 GFBARN O=C1[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000101205349 211397041 /nfs/dbraw/zinc/39/70/41/211397041.db2.gz CLZVPFLJJJAYNG-HIFRSBDPSA-N 0 0 389.726 2.680 50 5 GFBARN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097085753 211356444 /nfs/dbraw/zinc/35/64/44/211356444.db2.gz AVKQUIURMDLAIL-NSHDSACASA-N 0 0 381.845 2.892 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)Nc1ccccn1 ZINC000020530665 210344394 /nfs/dbraw/zinc/34/43/94/210344394.db2.gz YPAMKFWWNWSDHY-UHFFFAOYSA-N 0 0 389.375 2.678 50 5 GFBARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn2cnnc12 ZINC000019856738 210304147 /nfs/dbraw/zinc/30/41/47/210304147.db2.gz VRCRJIBONNQCKH-UHFFFAOYSA-N 0 0 396.476 2.575 50 5 GFBARN COc1ccc(CN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000008164901 533515209 /nfs/dbraw/zinc/51/52/09/533515209.db2.gz IRKNPGRRDPSUGX-UHFFFAOYSA-N 0 0 397.387 2.703 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ncc(F)cn2)CC1 ZINC000095940091 136182610 /nfs/dbraw/zinc/18/26/10/136182610.db2.gz SGSDXHBQJVUHKT-UHFFFAOYSA-N 0 0 380.767 2.531 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)NC3Cc4ccccc4C3)CC2)cc1 ZINC000004059181 136193669 /nfs/dbraw/zinc/19/36/69/136193669.db2.gz YBDSFJRPUZSWPV-UHFFFAOYSA-N 0 0 382.489 2.759 50 5 GFBARN COc1ccc(CCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000005708687 136194946 /nfs/dbraw/zinc/19/49/46/136194946.db2.gz YXWXALHYLFASPL-UHFFFAOYSA-N 0 0 386.404 2.840 50 5 GFBARN O=C(OCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007988944 136195397 /nfs/dbraw/zinc/19/53/97/136195397.db2.gz CVZSUFXRWACQBF-UHFFFAOYSA-N 0 0 390.367 2.806 50 5 GFBARN Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000043037195 570262031 /nfs/dbraw/zinc/26/20/31/570262031.db2.gz WFSSQZHQVGNJJS-MRXNPFEDSA-N 0 0 384.436 2.723 50 5 GFBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000004868988 570351519 /nfs/dbraw/zinc/35/15/19/570351519.db2.gz PJECWEBSSDLOQH-UHFFFAOYSA-N 0 0 383.282 2.991 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000005008670 570393275 /nfs/dbraw/zinc/39/32/75/570393275.db2.gz ZWLGPSHMODGGRF-SFHVURJKSA-N 0 0 397.387 2.845 50 5 GFBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3Cl)nn12 ZINC000027025698 570496219 /nfs/dbraw/zinc/49/62/19/570496219.db2.gz NVFVNTZBLVHXSG-NTEUORMPSA-N 0 0 384.804 2.927 50 5 GFBARN COC(=O)c1ccc(N2CCN(CC(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000036023249 570513604 /nfs/dbraw/zinc/51/36/04/570513604.db2.gz PGWBIOUVFWVCIT-UHFFFAOYSA-N 0 0 397.431 2.695 50 5 GFBARN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000004595261 570621339 /nfs/dbraw/zinc/62/13/39/570621339.db2.gz DOWAFPBHMVYRME-UHFFFAOYSA-N 0 0 384.421 2.999 50 5 GFBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccc4c(c3)OCO4)SC2)c1 ZINC000004598324 570629120 /nfs/dbraw/zinc/62/91/20/570629120.db2.gz UKTCEXNGXDAIKP-UHFFFAOYSA-N 0 0 381.373 2.940 50 5 GFBARN COc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1[N+](=O)[O-] ZINC000001131663 570755863 /nfs/dbraw/zinc/75/58/63/570755863.db2.gz JJTWHBALSVLCFG-MFOYZWKCSA-N 0 0 381.413 2.991 50 5 GFBARN COc1ccc(C2=N/C(=C\c3cccc(OC)c3OC)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644324 570776108 /nfs/dbraw/zinc/77/61/08/570776108.db2.gz INGZKELJJNGIBO-LCYFTJDESA-N 0 0 384.344 2.965 50 5 GFBARN O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032795956 570815915 /nfs/dbraw/zinc/81/59/15/570815915.db2.gz KYYSPSGIQUPYCU-FQEVSTJZSA-N 0 0 390.403 2.964 50 5 GFBARN C[C@H](OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000037115296 570838452 /nfs/dbraw/zinc/83/84/52/570838452.db2.gz FAXMAECEODAVAP-MCIONIFRSA-N 0 0 377.441 2.711 50 5 GFBARN COC(=O)c1ccc(N2CCC(c3nnc4ccccn43)CC2)c([N+](=O)[O-])c1 ZINC000012545769 570846684 /nfs/dbraw/zinc/84/66/84/570846684.db2.gz JXQRPWYMUWKTNE-UHFFFAOYSA-N 0 0 381.392 2.808 50 5 GFBARN Cn1c2nc3ccccc3n2c2c(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000004708089 570854876 /nfs/dbraw/zinc/85/48/76/570854876.db2.gz SVIIKHDANCCTIM-ZDUSSCGKSA-N 0 0 389.371 2.569 50 5 GFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cccc2ncccc21 ZINC000032904919 570902796 /nfs/dbraw/zinc/90/27/96/570902796.db2.gz PXLRBPRLWTVMDP-NSHDSACASA-N 0 0 380.360 2.909 50 5 GFBARN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000024600689 570953114 /nfs/dbraw/zinc/95/31/14/570953114.db2.gz ZBYANFVEFLDNGS-CQSZACIVSA-N 0 0 390.417 2.942 50 5 GFBARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004740688 570955463 /nfs/dbraw/zinc/95/54/63/570955463.db2.gz WFRLKRMTYFMAMW-UHFFFAOYSA-N 0 0 399.355 2.755 50 5 GFBARN O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc12 ZINC000004708655 570986502 /nfs/dbraw/zinc/98/65/02/570986502.db2.gz VNXOZSUORNYGPH-UHFFFAOYSA-N 0 0 391.452 2.595 50 5 GFBARN CC1=Nc2nnnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCc1ccccc1 ZINC000004811227 570997667 /nfs/dbraw/zinc/99/76/67/570997667.db2.gz GZKJCKWTPBNABW-KRWDZBQOSA-N 0 0 392.375 2.614 50 5 GFBARN O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017286249 210207452 /nfs/dbraw/zinc/20/74/52/210207452.db2.gz WNMDKVDCZGLROY-HXUWFJFHSA-N 0 0 380.448 2.737 50 5 GFBARN CCc1c(C)nc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])[nH]c1=O ZINC000015321565 210156416 /nfs/dbraw/zinc/15/64/16/210156416.db2.gz PJNWPVJVQBJOHY-UHFFFAOYSA-N 0 0 376.438 2.897 50 5 GFBARN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000014239791 210112845 /nfs/dbraw/zinc/11/28/45/210112845.db2.gz KOTYMIJPNYFVHW-UHFFFAOYSA-N 0 0 395.419 2.513 50 5 GFBARN Cc1cnc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)s1 ZINC000013882226 210095264 /nfs/dbraw/zinc/09/52/64/210095264.db2.gz XGAIIOKCWRJSOK-GKUGFIGPSA-N 0 0 388.453 2.885 50 5 GFBARN Cc1ccc(NC(=O)NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000005958388 209624469 /nfs/dbraw/zinc/62/44/69/209624469.db2.gz HLXVPHKFAGDSCD-UHFFFAOYSA-N 0 0 385.376 2.646 50 5 GFBARN Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000004881485 209538801 /nfs/dbraw/zinc/53/88/01/209538801.db2.gz SVFBASLDPMNIBH-UHFFFAOYSA-N 0 0 391.374 2.909 50 5 GFBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000002800702 209386109 /nfs/dbraw/zinc/38/61/09/209386109.db2.gz VRZKTXGEFKGLGP-UHFFFAOYSA-N 0 0 396.359 2.851 50 5 GFBARN CCOCCCn1cnc2c(c3nc4ccccc4nc3n2CCCOC)c1=O ZINC000002433009 209364413 /nfs/dbraw/zinc/36/44/13/209364413.db2.gz OKVXWVTVYLWDCC-UHFFFAOYSA-N 0 0 395.463 2.758 50 5 GFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cnn(Cc2ccccc2C)c1 ZINC000002756331 209382639 /nfs/dbraw/zinc/38/26/39/209382639.db2.gz FKQJESGRUBUORK-UHFFFAOYSA-N 0 0 388.815 2.945 50 5 GFBARN Cc1nn(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000002754615 209382086 /nfs/dbraw/zinc/38/20/86/209382086.db2.gz DDKSPACCTXOJJR-UHFFFAOYSA-N 0 0 397.357 2.618 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000001871616 209341844 /nfs/dbraw/zinc/34/18/44/209341844.db2.gz YFEQEMAOFMDCEB-ZSOIEALJSA-N 0 0 384.804 2.927 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccccc1 ZINC000010218351 209323061 /nfs/dbraw/zinc/32/30/61/209323061.db2.gz HTMRVVSMBKANRG-UHFFFAOYSA-N 0 0 378.406 2.796 50 5 GFBARN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000001171397 209310454 /nfs/dbraw/zinc/31/04/54/209310454.db2.gz GFSSKFVKVOYATH-UHFFFAOYSA-N 0 0 381.211 2.879 50 5 GFBARN CCOc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OCC ZINC000001074866 209296471 /nfs/dbraw/zinc/29/64/71/209296471.db2.gz ZICZTLFBKFRORI-BXUZGUMPSA-N 0 0 387.230 2.843 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000009579529 209285409 /nfs/dbraw/zinc/28/54/09/209285409.db2.gz BASUMPBAJPFACH-MRXNPFEDSA-N 0 0 397.347 2.770 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 ZINC000000950592 209283882 /nfs/dbraw/zinc/28/38/82/209283882.db2.gz ISALVEKDRGUAQE-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN COc1cc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000000845396 209272410 /nfs/dbraw/zinc/27/24/10/209272410.db2.gz VRSGTLWRBJGYDI-RIYZIHGNSA-N 0 0 384.344 2.965 50 5 GFBARN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097298213 209241787 /nfs/dbraw/zinc/24/17/87/209241787.db2.gz BSKKZHXAVCQDDH-PTZVLDCSSA-N 0 0 377.466 2.672 50 5 GFBARN CS(=O)(=O)Nc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000032354606 211939478 /nfs/dbraw/zinc/93/94/78/211939478.db2.gz WCDNKOHRALEOQS-UHFFFAOYSA-N 0 0 399.812 2.637 50 5 GFBARN COc1cc(CCNC(=O)c2nc3cccnc3s2)c([N+](=O)[O-])cc1OC ZINC000225571042 211907092 /nfs/dbraw/zinc/90/70/92/211907092.db2.gz KITLGUBPZYSNSG-UHFFFAOYSA-N 0 0 388.405 2.589 50 5 GFBARN Cc1nn(CC(=O)Nc2ccnn2Cc2ccccc2Cl)c(C)c1[N+](=O)[O-] ZINC000024652644 211794809 /nfs/dbraw/zinc/79/48/09/211794809.db2.gz QZTBQWHDFVAOHO-UHFFFAOYSA-N 0 0 388.815 2.945 50 5 GFBARN O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006889288 211581507 /nfs/dbraw/zinc/58/15/07/211581507.db2.gz MKNVBBJZLNXOAQ-UHFFFAOYSA-N 0 0 388.351 2.783 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2)cc1 ZINC000002711405 211516804 /nfs/dbraw/zinc/51/68/04/211516804.db2.gz BQHGNJGNRGDGAX-UHFFFAOYSA-N 0 0 377.447 2.889 50 5 GFBARN Cc1nnc(C)n1-n1ccc2c(cnc3ccn(-c4ccc(C)cc4)c(=O)c32)c1=O ZINC000072115935 211070188 /nfs/dbraw/zinc/07/01/88/211070188.db2.gz ZRLJYYUUDGQKCA-UHFFFAOYSA-N 0 0 398.426 2.529 50 5 GFBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)COCc1ccccc1Cl ZINC000032854214 210594766 /nfs/dbraw/zinc/59/47/66/210594766.db2.gz NOLNXEMKINGRIJ-AWEZNQCLSA-N 0 0 389.795 2.536 50 5 GFBARN O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019789952 210296368 /nfs/dbraw/zinc/29/63/68/210296368.db2.gz LHTOYOWNQIZUMN-UHFFFAOYSA-N 0 0 389.839 2.971 50 5 GFBARN CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000001426696 220497133 /nfs/dbraw/zinc/49/71/33/220497133.db2.gz OSFIAMBQVBOIAH-UHFFFAOYSA-N 0 0 380.788 2.877 50 5 GFBARN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040094048 132395389 /nfs/dbraw/zinc/39/53/89/132395389.db2.gz BNQJJGVFIXHPCM-OAHLLOKOSA-N 0 0 396.447 2.595 50 5 GFBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000058160433 136154605 /nfs/dbraw/zinc/15/46/05/136154605.db2.gz FRZCMIMAQQOHLF-UHFFFAOYSA-N 0 0 380.448 2.844 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003879415 136193662 /nfs/dbraw/zinc/19/36/62/136193662.db2.gz PJXAOBRRLJQCFR-RUDMXATFSA-N 0 0 382.376 2.865 50 5 GFBARN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564727 136202167 /nfs/dbraw/zinc/20/21/67/136202167.db2.gz MBEZTIHKYUCWIA-INIZCTEOSA-N 0 0 380.448 2.695 50 5 GFBARN CNC(=C([C@@H](O)C(F)(F)Cl)[N+](=O)[O-])N(Cc1ccc(Cl)nc1)C1CC1 ZINC000048523321 551156843 /nfs/dbraw/zinc/15/68/43/551156843.db2.gz KSUUDUGGLLSTKZ-RVROTUBLSA-N 0 0 397.209 2.557 50 5 GFBARN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 ZINC000023558664 570326460 /nfs/dbraw/zinc/32/64/60/570326460.db2.gz MLSZOJWHNVFATA-UHFFFAOYSA-N 0 0 384.314 2.872 50 5 GFBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004868849 570351495 /nfs/dbraw/zinc/35/14/95/570351495.db2.gz CDYZEMBSWJJOAO-UHFFFAOYSA-N 0 0 383.282 2.991 50 5 GFBARN O=C(Nc1ccc(F)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054740 570406846 /nfs/dbraw/zinc/40/68/46/570406846.db2.gz VULWXOXCVQBZQN-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN CC(C)NS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000006507742 570461001 /nfs/dbraw/zinc/46/10/01/570461001.db2.gz LENKOKBHVVTVPB-UHFFFAOYSA-N 0 0 393.421 2.622 50 5 GFBARN Cc1cccc(C)c1NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000006510641 570462891 /nfs/dbraw/zinc/46/28/91/570462891.db2.gz NITTZLUWIILAHZ-UHFFFAOYSA-N 0 0 377.422 2.666 50 5 GFBARN O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270754 570547096 /nfs/dbraw/zinc/54/70/96/570547096.db2.gz GXBPNVDDWJSITL-UHFFFAOYSA-N 0 0 393.355 2.786 50 5 GFBARN CCOc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000022805081 570550478 /nfs/dbraw/zinc/55/04/78/570550478.db2.gz MIQWKOPYXZDKSB-UHFFFAOYSA-N 0 0 392.437 2.917 50 5 GFBARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005636110 570677678 /nfs/dbraw/zinc/67/76/78/570677678.db2.gz HJBNGUOQFKKETL-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN O=C(Nc1cccc2nsnc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004624180 570679220 /nfs/dbraw/zinc/67/92/20/570679220.db2.gz XKTMNXWDQKEXGO-UHFFFAOYSA-N 0 0 385.405 2.688 50 5 GFBARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000006999884 570732144 /nfs/dbraw/zinc/73/21/44/570732144.db2.gz LHDZKAIMFKSVFM-UHFFFAOYSA-N 0 0 391.449 2.779 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000025326813 570747200 /nfs/dbraw/zinc/74/72/00/570747200.db2.gz ADWGVFVWOGDAFB-UHFFFAOYSA-N 0 0 383.404 2.526 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)OCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000025402155 570748862 /nfs/dbraw/zinc/74/88/62/570748862.db2.gz RHRNFHLNHUMGBH-UHFFFAOYSA-N 0 0 379.390 2.624 50 5 GFBARN COc1cccc(N2C[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000004497149 570812859 /nfs/dbraw/zinc/81/28/59/570812859.db2.gz VBQCIASPPXSUNJ-YYRKOSNBSA-N 0 0 381.388 2.538 50 5 GFBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006038300 570816108 /nfs/dbraw/zinc/81/61/08/570816108.db2.gz GSDHVVYYMSGLFH-AWEZNQCLSA-N 0 0 399.403 2.615 50 5 GFBARN CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] ZINC000239378312 570828655 /nfs/dbraw/zinc/82/86/55/570828655.db2.gz ONVZBPNGXVPCMU-XMTFNYHQSA-N 0 0 387.392 2.800 50 5 GFBARN C[C@H]1CC(=O)N(c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)C1=O ZINC000004684355 570830275 /nfs/dbraw/zinc/83/02/75/570830275.db2.gz KLPYHMQZMNQHGL-HNNXBMFYSA-N 0 0 394.431 2.821 50 5 GFBARN Cn1c(=O)[nH]c(=O)c2c1N=C1c3ccccc3C(=O)C1[C@@H]2c1ccc([N+](=O)[O-])o1 ZINC000102643191 570856781 /nfs/dbraw/zinc/85/67/81/570856781.db2.gz YGJBCKADVHZXSH-LBPRGKRZSA-N 0 0 392.327 2.536 50 5 GFBARN C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F ZINC000032895583 570887033 /nfs/dbraw/zinc/88/70/33/570887033.db2.gz GTHUDEIPFPXIGF-NSHDSACASA-N 0 0 396.396 2.935 50 5 GFBARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)c12 ZINC000032900101 570895565 /nfs/dbraw/zinc/89/55/65/570895565.db2.gz RIJDFQKXMVGQFJ-UHFFFAOYSA-N 0 0 383.364 2.517 50 5 GFBARN NS(=O)(=O)[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000032911820 570914947 /nfs/dbraw/zinc/91/49/47/570914947.db2.gz BAUVQALOZPNGDX-ZETCQYMHSA-N 0 0 387.767 2.524 50 5 GFBARN CC(=O)Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1C ZINC000046810345 570934495 /nfs/dbraw/zinc/93/44/95/570934495.db2.gz CUTCZSUEUHUNQW-UHFFFAOYSA-N 0 0 382.420 2.824 50 5 GFBARN O=C(CC[C@@H]1CCCOC1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000170652316 570998443 /nfs/dbraw/zinc/99/84/43/570998443.db2.gz ATPBRHXIWGBVLX-HNNXBMFYSA-N 0 0 377.441 2.956 50 5 GFBARN COC(=O)c1ccc(OC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000015580329 571023758 /nfs/dbraw/zinc/02/37/58/571023758.db2.gz PWLCNNMCRCWGIU-QPJJXVBHSA-N 0 0 385.328 2.867 50 5 GFBARN NC(=O)c1ccc(COc2ccccc2I)c([N+](=O)[O-])c1 ZINC000031657365 654597638 /nfs/dbraw/zinc/59/76/38/654597638.db2.gz RTESMQMHHFPZSX-UHFFFAOYSA-N 0 0 398.156 2.877 50 5 GFBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000017080350 210203899 /nfs/dbraw/zinc/20/38/99/210203899.db2.gz LOJXKCLNYOYCJI-UHFFFAOYSA-N 0 0 393.424 2.965 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016742302 210195198 /nfs/dbraw/zinc/19/51/98/210195198.db2.gz DOSJOCCBWCRQPY-QGZVFWFLSA-N 0 0 392.408 2.563 50 5 GFBARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000016010599 210181318 /nfs/dbraw/zinc/18/13/18/210181318.db2.gz BWVTYUIEOZQEIC-UHFFFAOYSA-N 0 0 385.420 2.939 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000012915813 210028282 /nfs/dbraw/zinc/02/82/82/210028282.db2.gz UYKGOIAGSASYGF-UHFFFAOYSA-N 0 0 394.387 2.791 50 5 GFBARN CC(C)NS(=O)(=O)c1ccc(Sc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000012860790 210019506 /nfs/dbraw/zinc/01/95/06/210019506.db2.gz UYQCMSSMJNSLMN-UHFFFAOYSA-N 0 0 385.471 2.674 50 5 GFBARN NC(=O)c1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000012778782 210007726 /nfs/dbraw/zinc/00/77/26/210007726.db2.gz FGIBXBPBGFGFAR-UHFFFAOYSA-N 0 0 382.401 2.973 50 5 GFBARN COc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000012538926 209971501 /nfs/dbraw/zinc/97/15/01/209971501.db2.gz PLTKEBNCJYUIGK-UHFFFAOYSA-N 0 0 383.404 2.768 50 5 GFBARN O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006839632 209696706 /nfs/dbraw/zinc/69/67/06/209696706.db2.gz NAFARWPPZCBPNB-OAHLLOKOSA-N 0 0 392.751 2.570 50 5 GFBARN COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc([N+](=O)[O-])c2)C3)cc1 ZINC000006668409 209667505 /nfs/dbraw/zinc/66/75/05/209667505.db2.gz ABMVSCUNHDTQIG-GOSISDBHSA-N 0 0 394.387 2.600 50 5 GFBARN COc1cc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000004836866 209530894 /nfs/dbraw/zinc/53/08/94/209530894.db2.gz VRSGTLWRBJGYDI-ZSOIEALJSA-N 0 0 384.344 2.965 50 5 GFBARN COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)cc1 ZINC000004708644 209515613 /nfs/dbraw/zinc/51/56/13/209515613.db2.gz PCOQYGKTIPOBFI-UHFFFAOYSA-N 0 0 395.440 2.681 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000002921588 209398980 /nfs/dbraw/zinc/39/89/80/209398980.db2.gz FSACKXHODAMGEW-UHFFFAOYSA-N 0 0 388.405 2.630 50 5 GFBARN O=[N+]([O-])c1ccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 ZINC000002796880 209386166 /nfs/dbraw/zinc/38/61/66/209386166.db2.gz SOYGJPPRRDKTLH-UHFFFAOYSA-N 0 0 387.359 2.950 50 5 GFBARN CCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002657203 209375830 /nfs/dbraw/zinc/37/58/30/209375830.db2.gz VKNJHUBCVMEYRB-LFYBBSHMSA-N 0 0 398.371 2.967 50 5 GFBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201949 209313735 /nfs/dbraw/zinc/31/37/35/209313735.db2.gz GSUCXRIRICNJGN-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000000851733 209271587 /nfs/dbraw/zinc/27/15/87/209271587.db2.gz FHXDLOGYUMTSOY-UHFFFAOYSA-N 0 0 389.383 2.714 50 5 GFBARN O=C(NC[C@@H]1CCCO1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000000825066 209268976 /nfs/dbraw/zinc/26/89/76/209268976.db2.gz RITDKIGDDBYZOR-DYGKOUCMSA-N 0 0 395.415 2.661 50 5 GFBARN O=C(c1cccnc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000000825316 209269001 /nfs/dbraw/zinc/26/90/01/209269001.db2.gz SVBWIDDKKFSXDJ-OAHLLOKOSA-N 0 0 380.282 2.599 50 5 GFBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000015554275 211708706 /nfs/dbraw/zinc/70/87/06/211708706.db2.gz ZWABPNATDQGKDC-VMPITWQZSA-N 0 0 379.294 2.780 50 5 GFBARN Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012886966 211691045 /nfs/dbraw/zinc/69/10/45/211691045.db2.gz TVNKMJDYFWHEPU-MRXNPFEDSA-N 0 0 375.450 2.768 50 5 GFBARN CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1)CCS2 ZINC000004339337 211544351 /nfs/dbraw/zinc/54/43/51/211544351.db2.gz ZRWPNLJNFGWOQK-UHFFFAOYSA-N 0 0 392.462 2.550 50 5 GFBARN CCCc1sc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1CC ZINC000089960424 211188717 /nfs/dbraw/zinc/18/87/17/211188717.db2.gz LOCXJTGBUBZXIY-QAPCUYQASA-N 0 0 392.477 2.996 50 5 GFBARN Cn1c(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc2ccccc21 ZINC000020732478 210359223 /nfs/dbraw/zinc/35/92/23/210359223.db2.gz SFWNZMHAKZGNKR-UHFFFAOYSA-N 0 0 392.415 2.685 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000020442485 210333899 /nfs/dbraw/zinc/33/38/99/210333899.db2.gz UZYZFWJGQBRKBN-UHFFFAOYSA-N 0 0 391.347 2.542 50 5 GFBARN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020109645 210317082 /nfs/dbraw/zinc/31/70/82/210317082.db2.gz FIDGVROMRQUMQG-QGZVFWFLSA-N 0 0 391.855 2.810 50 5 GFBARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000001126105 220476790 /nfs/dbraw/zinc/47/67/90/220476790.db2.gz GXQQRRMMKGWATJ-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040139429 132399550 /nfs/dbraw/zinc/39/95/50/132399550.db2.gz KKXYRZHZYKWVAM-KRWDZBQOSA-N 0 0 399.451 2.825 50 5 GFBARN O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 ZINC000072328744 136168246 /nfs/dbraw/zinc/16/82/46/136168246.db2.gz SDSNSPKSLUYLJK-UHFFFAOYSA-N 0 0 377.404 2.947 50 5 GFBARN CC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003878116 551094334 /nfs/dbraw/zinc/09/43/34/551094334.db2.gz DYMLKNCJEMMPPO-VIFPVBQESA-N 0 0 385.660 2.714 50 5 GFBARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004838757 570306893 /nfs/dbraw/zinc/30/68/93/570306893.db2.gz QMKRACMXKDIULA-OAHLLOKOSA-N 0 0 379.438 2.861 50 5 GFBARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004838759 570306956 /nfs/dbraw/zinc/30/69/56/570306956.db2.gz QMKRACMXKDIULA-HNNXBMFYSA-N 0 0 379.438 2.861 50 5 GFBARN O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c2ccncc21 ZINC000023990064 570341172 /nfs/dbraw/zinc/34/11/72/570341172.db2.gz GRGRLZYVEACPSB-OAQYLSRUSA-N 0 0 378.432 2.999 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004891915 570357535 /nfs/dbraw/zinc/35/75/35/570357535.db2.gz SHXPZICUMZGSCP-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010904128 570361302 /nfs/dbraw/zinc/36/13/02/570361302.db2.gz BZLBNYXMXKWUSD-UHFFFAOYSA-N 0 0 396.856 2.894 50 5 GFBARN COc1ccccc1CNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] ZINC000004922839 570370230 /nfs/dbraw/zinc/37/02/30/570370230.db2.gz WXVHOFYLZGSKRR-UHFFFAOYSA-N 0 0 375.772 2.688 50 5 GFBARN CC(C)N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000135681765 570375628 /nfs/dbraw/zinc/37/56/28/570375628.db2.gz AKXLHONTKXYEAI-OKZBNKHCSA-N 0 0 381.388 2.850 50 5 GFBARN Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000005126684 570421673 /nfs/dbraw/zinc/42/16/73/570421673.db2.gz XNUKJZNOBKQWDA-UHFFFAOYSA-N 0 0 377.422 2.541 50 5 GFBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc2c(c1)CCC2 ZINC000006465285 570441967 /nfs/dbraw/zinc/44/19/67/570441967.db2.gz JNOZOPBQYGRJBY-CYBMUJFWSA-N 0 0 398.415 2.916 50 5 GFBARN COc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000005208310 570504912 /nfs/dbraw/zinc/50/49/12/570504912.db2.gz QXEYVHCOHMMVSN-UHFFFAOYSA-N 0 0 375.381 2.985 50 5 GFBARN Cc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 ZINC000005207094 570506561 /nfs/dbraw/zinc/50/65/61/570506561.db2.gz VVSLRIOHEXEXFA-UHFFFAOYSA-N 0 0 392.433 2.503 50 5 GFBARN CC(=O)N(C)[C@@H](c1nnnn1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005480875 570609950 /nfs/dbraw/zinc/60/99/50/570609950.db2.gz WIMDLTXFWMWCSH-MRXNPFEDSA-N 0 0 386.799 2.792 50 5 GFBARN CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c([N+](=O)[O-])c1 ZINC000005487940 570613816 /nfs/dbraw/zinc/61/38/16/570613816.db2.gz JIDLUYVSMRNSRK-UHFFFAOYSA-N 0 0 398.350 2.931 50 5 GFBARN CCOc1ccc(NC(=S)NC(=O)c2c(Cl)cnn2CC)c([N+](=O)[O-])c1 ZINC000005585577 570661044 /nfs/dbraw/zinc/66/10/44/570661044.db2.gz KXXNIZRBKQOOIN-UHFFFAOYSA-N 0 0 397.844 2.990 50 5 GFBARN NS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(C(F)(F)F)cn2)s1 ZINC000004347620 570675834 /nfs/dbraw/zinc/67/58/34/570675834.db2.gz GSCTZZXKJBXJOA-UHFFFAOYSA-N 0 0 385.370 2.869 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000025029102 570685538 /nfs/dbraw/zinc/68/55/38/570685538.db2.gz FSDVRXGVFPWZBI-LBPRGKRZSA-N 0 0 385.376 2.513 50 5 GFBARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C)c1 ZINC000027548218 570699657 /nfs/dbraw/zinc/69/96/57/570699657.db2.gz RFEATSAZYHGXQH-OAHLLOKOSA-N 0 0 375.450 2.803 50 5 GFBARN O=C(Nc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1)NC1CC1 ZINC000025268519 570745539 /nfs/dbraw/zinc/74/55/39/570745539.db2.gz SBVLYHFUXNWKMP-UHFFFAOYSA-N 0 0 383.408 2.721 50 5 GFBARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000052537712 570752717 /nfs/dbraw/zinc/75/27/17/570752717.db2.gz UURMPELEZSQICI-UHFFFAOYSA-N 0 0 376.363 2.634 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 ZINC000007191577 570813150 /nfs/dbraw/zinc/81/31/50/570813150.db2.gz DCZCTPZVACOCOX-CQSZACIVSA-N 0 0 393.440 2.601 50 5 GFBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006038301 570816069 /nfs/dbraw/zinc/81/60/69/570816069.db2.gz GSDHVVYYMSGLFH-CQSZACIVSA-N 0 0 399.403 2.615 50 5 GFBARN CC[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C)s1 ZINC000004523592 570841709 /nfs/dbraw/zinc/84/17/09/570841709.db2.gz IFRUEEYHPUMHFS-PPGNKHEKSA-N 0 0 376.394 2.728 50 5 GFBARN CCCN1C(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCOC)=C1C ZINC000007551966 570879273 /nfs/dbraw/zinc/87/92/73/570879273.db2.gz NPVDXQLMPBHPJK-INIZCTEOSA-N 0 0 393.465 2.700 50 5 GFBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000032908288 570909057 /nfs/dbraw/zinc/90/90/57/570909057.db2.gz YLQDGSUCHBVFCE-UHFFFAOYSA-N 0 0 389.433 2.701 50 5 GFBARN Cc1ccnc(NC(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000047252450 570949868 /nfs/dbraw/zinc/94/98/68/570949868.db2.gz XVKFKIJIZSLUBB-UHFFFAOYSA-N 0 0 394.435 2.956 50 5 GFBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539601 570963565 /nfs/dbraw/zinc/96/35/65/570963565.db2.gz VWFNVSIIUJZMAB-CYBMUJFWSA-N 0 0 392.456 2.911 50 5 GFBARN NC(=O)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000027357581 570997306 /nfs/dbraw/zinc/99/73/06/570997306.db2.gz MYANQILFAGANEM-INIZCTEOSA-N 0 0 383.404 2.802 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000084603308 571026173 /nfs/dbraw/zinc/02/61/73/571026173.db2.gz BHFWCTMLRKPGCO-UHFFFAOYSA-N 0 0 375.431 2.993 50 5 GFBARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1[N+](=O)[O-] ZINC000015408999 210156913 /nfs/dbraw/zinc/15/69/13/210156913.db2.gz USVFPXVBIDZMMW-CYBMUJFWSA-N 0 0 397.387 2.666 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1c(=O)oc2ccccc21 ZINC000014084772 210102509 /nfs/dbraw/zinc/10/25/09/210102509.db2.gz ABHMBLYVELNLHJ-UHFFFAOYSA-N 0 0 375.768 2.815 50 5 GFBARN COc1cccc(C(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000012916751 210028401 /nfs/dbraw/zinc/02/84/01/210028401.db2.gz POXMKYNUOMPSJX-CMDGGOBGSA-N 0 0 395.415 2.601 50 5 GFBARN O=C1CCc2cc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1 ZINC000012853342 210018914 /nfs/dbraw/zinc/01/89/14/210018914.db2.gz CIUCQCJIQGSYAD-UHFFFAOYSA-N 0 0 382.781 2.901 50 5 GFBARN CCOC(=O)C[C@@H](Sc1ccc(C(=O)OCC)cc1[N+](=O)[O-])C(=O)OCC ZINC000004660978 209506844 /nfs/dbraw/zinc/50/68/44/209506844.db2.gz ZVXFCHVLSHDPJC-CQSZACIVSA-N 0 0 399.421 2.749 50 5 GFBARN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1C(F)(F)F ZINC000003426328 209434452 /nfs/dbraw/zinc/43/44/52/209434452.db2.gz VKZCQBOOQFLROL-UHFFFAOYSA-N 0 0 379.295 2.612 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)CCCC1=O ZINC000002880019 209394377 /nfs/dbraw/zinc/39/43/77/209394377.db2.gz QJQPRBAUARVILS-UHFFFAOYSA-N 0 0 385.351 2.830 50 5 GFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccc(Cl)cc2c(=O)o1 ZINC000002603035 209370521 /nfs/dbraw/zinc/37/05/21/209370521.db2.gz WCFBVGRLBMNOAQ-UHFFFAOYSA-N 0 0 385.719 2.546 50 5 GFBARN CCSc1nnc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)s1 ZINC000002781213 209383234 /nfs/dbraw/zinc/38/32/34/209383234.db2.gz OOPZVIOWIRZBJL-UHFFFAOYSA-N 0 0 380.411 2.648 50 5 GFBARN S=c1[nH]nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCC5 ZINC000002359165 209358476 /nfs/dbraw/zinc/35/84/76/209358476.db2.gz PSOOSSNEUCAXIS-UHFFFAOYSA-N 0 0 384.490 2.875 50 5 GFBARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002092056 209346146 /nfs/dbraw/zinc/34/61/46/209346146.db2.gz QQZRAIBGAPSQBE-HNNXBMFYSA-N 0 0 379.438 2.861 50 5 GFBARN COC(=O)c1nc2cc3c(cc2c2ccn(CC(F)(F)F)c(=O)c21)OCO3 ZINC000001395100 209325276 /nfs/dbraw/zinc/32/52/76/209325276.db2.gz OIKKMICQELNSJG-UHFFFAOYSA-N 0 0 380.278 2.627 50 5 GFBARN NS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000009945528 209321150 /nfs/dbraw/zinc/32/11/50/209321150.db2.gz FJCYEINKKKYQAB-UHFFFAOYSA-N 0 0 379.341 2.807 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCCc2ccccc21 ZINC000001198522 209313238 /nfs/dbraw/zinc/31/32/38/209313238.db2.gz IINBTNNKFAPBRB-UHFFFAOYSA-N 0 0 379.214 2.842 50 5 GFBARN Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000001112598 209301489 /nfs/dbraw/zinc/30/14/89/209301489.db2.gz VUVDBIXVPDYQCN-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN COC(=O)c1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1 ZINC000001075167 209296940 /nfs/dbraw/zinc/29/69/40/209296940.db2.gz JCLPWRSNTJYBMA-UHFFFAOYSA-N 0 0 380.360 2.884 50 5 GFBARN COc1cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000000881786 209275744 /nfs/dbraw/zinc/27/57/44/209275744.db2.gz AIZQFUBGAXWJJX-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN Cc1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1[N+](=O)[O-] ZINC000012903672 211692413 /nfs/dbraw/zinc/69/24/13/211692413.db2.gz KDXPEOYXNJGXHT-UHFFFAOYSA-N 0 0 375.406 2.695 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000010532064 211669764 /nfs/dbraw/zinc/66/97/64/211669764.db2.gz PSPKFNKGVWRFKR-WDEREUQCSA-N 0 0 375.356 2.739 50 5 GFBARN Cc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000008037082 211595811 /nfs/dbraw/zinc/59/58/11/211595811.db2.gz LWNFRGAQWRUAMC-UHFFFAOYSA-N 0 0 392.433 2.623 50 5 GFBARN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2ON=C(c3ccccc3Cl)C2=C1O ZINC000101213090 211397154 /nfs/dbraw/zinc/39/71/54/211397154.db2.gz RAPOUFQYDHXOJB-ZBFHGGJFSA-N 0 0 385.763 2.849 50 5 GFBARN CCCCn1c(=N)c(C(=O)NCC(C)C)cc2c1nc1c(C)cccn1c2=O ZINC000101170848 211396997 /nfs/dbraw/zinc/39/69/97/211396997.db2.gz LETFIAFDSQGYGB-UHFFFAOYSA-N 0 0 381.480 2.623 50 5 GFBARN Cn1c2ccccc2c(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1=O ZINC000020841583 210362511 /nfs/dbraw/zinc/36/25/11/210362511.db2.gz YYIKFTJXOYTLQT-UHFFFAOYSA-N 0 0 378.432 2.769 50 5 GFBARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020575362 210349070 /nfs/dbraw/zinc/34/90/70/210349070.db2.gz YIJDKAMKBUFOKJ-UHFFFAOYSA-N 0 0 397.391 2.837 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000020223959 210323689 /nfs/dbraw/zinc/32/36/89/210323689.db2.gz DHPILMZSMZQXLX-UHFFFAOYSA-N 0 0 380.326 2.971 50 5 GFBARN O=C(NC1CCCCC1)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000020388129 210331896 /nfs/dbraw/zinc/33/18/96/210331896.db2.gz PXDVRZDNNCNBGC-UHFFFAOYSA-N 0 0 390.484 2.792 50 5 GFBARN NS(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008147169 136195472 /nfs/dbraw/zinc/19/54/72/136195472.db2.gz VBDWHRQSGMGEDD-UHFFFAOYSA-N 0 0 375.450 2.701 50 5 GFBARN CCC(=O)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004841182 570313428 /nfs/dbraw/zinc/31/34/28/570313428.db2.gz URRPRGJERPQQLU-UHFFFAOYSA-N 0 0 383.404 2.873 50 5 GFBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 ZINC000004885597 570355224 /nfs/dbraw/zinc/35/52/24/570355224.db2.gz JOKCCLWCDKUGHY-UHFFFAOYSA-N 0 0 395.463 2.943 50 5 GFBARN COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000005041953 570404576 /nfs/dbraw/zinc/40/45/76/570404576.db2.gz AJOSLCKWHYXIGZ-UHFFFAOYSA-N 0 0 386.408 2.966 50 5 GFBARN CNC(=O)c1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000013009266 570416256 /nfs/dbraw/zinc/41/62/56/570416256.db2.gz FBBZILXCLSEEQN-UHFFFAOYSA-N 0 0 383.404 2.524 50 5 GFBARN CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000054147620 570450710 /nfs/dbraw/zinc/45/07/10/570450710.db2.gz XGUDOAALRXRPQQ-UHFFFAOYSA-N 0 0 399.499 2.747 50 5 GFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000032957710 570451392 /nfs/dbraw/zinc/45/13/92/570451392.db2.gz ZSQOASRYILGTMP-GOSISDBHSA-N 0 0 399.794 2.863 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000006516584 570464372 /nfs/dbraw/zinc/46/43/72/570464372.db2.gz RZWKYGNIBWVHIG-UHFFFAOYSA-N 0 0 386.389 2.571 50 5 GFBARN COc1ccc2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)sc2c1 ZINC000005181100 570496049 /nfs/dbraw/zinc/49/60/49/570496049.db2.gz LRSFCJAFQIYEMJ-UHFFFAOYSA-N 0 0 388.405 2.769 50 5 GFBARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000005255084 570530503 /nfs/dbraw/zinc/53/05/03/570530503.db2.gz ADZHKSLYMIERLK-UHFFFAOYSA-N 0 0 395.371 2.896 50 5 GFBARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000022864131 570558400 /nfs/dbraw/zinc/55/84/00/570558400.db2.gz FVJMLBZSBIUDOU-UHFFFAOYSA-N 0 0 375.406 2.596 50 5 GFBARN Cc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1C ZINC000006832200 570636223 /nfs/dbraw/zinc/63/62/23/570636223.db2.gz JYSMSSUVUYMOSK-UHFFFAOYSA-N 0 0 391.449 2.976 50 5 GFBARN CCN(CC)C(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000005623694 570672737 /nfs/dbraw/zinc/67/27/37/570672737.db2.gz OPCSSUGLYGIHMW-CQSZACIVSA-N 0 0 377.441 2.856 50 5 GFBARN COc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-] ZINC000007007615 570739765 /nfs/dbraw/zinc/73/97/65/570739765.db2.gz OAAJZIIJYAUHGC-UHFFFAOYSA-N 0 0 398.463 2.668 50 5 GFBARN O=C(c1cc(Br)c[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025423609 570751111 /nfs/dbraw/zinc/75/11/11/570751111.db2.gz JPZRWGXGLVARPF-UHFFFAOYSA-N 0 0 379.214 2.648 50 5 GFBARN COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052537610 570752925 /nfs/dbraw/zinc/75/29/25/570752925.db2.gz XJZQDGMVZFJEDD-UHFFFAOYSA-N 0 0 384.436 2.673 50 5 GFBARN Cc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001128985 570755721 /nfs/dbraw/zinc/75/57/21/570755721.db2.gz HZAGQXFUYUOXTN-QGZVFWFLSA-N 0 0 391.391 2.817 50 5 GFBARN CCn1c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000036614380 570758456 /nfs/dbraw/zinc/75/84/56/570758456.db2.gz ZJAMFJSYOBAAMD-UHFFFAOYSA-N 0 0 386.389 2.836 50 5 GFBARN Cc1nc2ccccc2nc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032719121 570759061 /nfs/dbraw/zinc/75/90/61/570759061.db2.gz UAGFYSCOCONLMX-UHFFFAOYSA-N 0 0 381.344 2.975 50 5 GFBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ncccn2)CC1 ZINC000032828825 570842372 /nfs/dbraw/zinc/84/23/72/570842372.db2.gz BLRLDNIOMBDVSN-UHFFFAOYSA-N 0 0 398.301 2.638 50 5 GFBARN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)c1ccccc1 ZINC000012542134 570842923 /nfs/dbraw/zinc/84/29/23/570842923.db2.gz KTLBLPXZDONJGH-UHFFFAOYSA-N 0 0 398.448 2.730 50 5 GFBARN COc1ccc(N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000004531845 570846700 /nfs/dbraw/zinc/84/67/00/570846700.db2.gz ABJLFNNYQDZPGB-JTQLQIEISA-N 0 0 385.635 2.983 50 5 GFBARN C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000170596238 570854278 /nfs/dbraw/zinc/85/42/78/570854278.db2.gz YLIRTIQFPZSFSF-INIZCTEOSA-N 0 0 379.756 2.794 50 5 GFBARN CCOC(=O)C(CC)(CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000004724357 570862719 /nfs/dbraw/zinc/86/27/19/570862719.db2.gz KBUZPRQUYKTYMK-UHFFFAOYSA-N 0 0 380.397 2.836 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023076355 570902043 /nfs/dbraw/zinc/90/20/43/570902043.db2.gz IJZFFURYGGHPQU-CYBMUJFWSA-N 0 0 397.387 2.906 50 5 GFBARN COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)c1 ZINC000023105960 570904823 /nfs/dbraw/zinc/90/48/23/570904823.db2.gz QJBMWEZHIQZBFP-HXUWFJFHSA-N 0 0 399.447 2.715 50 5 GFBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)c(Cl)cc12 ZINC000004708615 570985781 /nfs/dbraw/zinc/98/57/81/570985781.db2.gz YEIZIGBHJCCZQJ-UHFFFAOYSA-N 0 0 391.880 2.984 50 5 GFBARN COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC ZINC000007759574 571032069 /nfs/dbraw/zinc/03/20/69/571032069.db2.gz RTFMGQGNUORWPP-UHFFFAOYSA-N 0 0 398.375 2.900 50 5 GFBARN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000096562501 655031774 /nfs/dbraw/zinc/03/17/74/655031774.db2.gz DIHJHBSXTHCDGN-UHFFFAOYSA-N 0 0 376.170 2.559 50 5 GFBARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018077874 210213653 /nfs/dbraw/zinc/21/36/53/210213653.db2.gz HJKAFNYGXLDADT-UHFFFAOYSA-N 0 0 379.372 2.664 50 5 GFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000018068253 210212600 /nfs/dbraw/zinc/21/26/00/210212600.db2.gz RGIBTVLGQIQDQP-GASCZTMLSA-N 0 0 397.497 2.629 50 5 GFBARN Cc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000015587245 210160512 /nfs/dbraw/zinc/16/05/12/210160512.db2.gz VSXMVVHIXCXMRC-UHFFFAOYSA-N 0 0 381.344 2.540 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccc2c(c1)OCCO2 ZINC000014775928 210129762 /nfs/dbraw/zinc/12/97/62/210129762.db2.gz BZYCTVCYFOUPAG-UHFFFAOYSA-N 0 0 392.795 2.757 50 5 GFBARN CSc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012818833 210014996 /nfs/dbraw/zinc/01/49/96/210014996.db2.gz HXKQFJHZKGQTOB-STQMWFEESA-N 0 0 381.498 2.934 50 5 GFBARN O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000004985698 209555502 /nfs/dbraw/zinc/55/55/02/209555502.db2.gz SUMNRVDMBZPKJJ-CQSZACIVSA-N 0 0 397.206 2.832 50 5 GFBARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004949553 209550499 /nfs/dbraw/zinc/55/04/99/209550499.db2.gz OXOPYJPMGGYHES-UHFFFAOYSA-N 0 0 392.389 2.570 50 5 GFBARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002252876 209352654 /nfs/dbraw/zinc/35/26/54/209352654.db2.gz YFCJTXWVBNJXQP-TZMCWYRMSA-N 0 0 375.406 2.807 50 5 GFBARN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000010253167 209324199 /nfs/dbraw/zinc/32/41/99/209324199.db2.gz YCHJEJBZNBPOHL-UHFFFAOYSA-N 0 0 378.406 2.578 50 5 GFBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1C(F)(F)F ZINC000001124186 209303988 /nfs/dbraw/zinc/30/39/88/209303988.db2.gz DOLFGNNJWMKJBG-UHFFFAOYSA-N 0 0 393.277 2.848 50 5 GFBARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001117814 209302607 /nfs/dbraw/zinc/30/26/07/209302607.db2.gz HDHARYJBDBHLDQ-SNVBAGLBSA-N 0 0 383.813 2.554 50 5 GFBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000001052541 209293450 /nfs/dbraw/zinc/29/34/50/209293450.db2.gz XNSPWTXSMRMLOT-UHFFFAOYSA-N 0 0 397.362 2.803 50 5 GFBARN CCOC(=O)C1C(c2ccccc2)=Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000950616 209283876 /nfs/dbraw/zinc/28/38/76/209283876.db2.gz YBYAOABLFKGMDR-QGZVFWFLSA-N 0 0 392.375 2.571 50 5 GFBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000837555 209270545 /nfs/dbraw/zinc/27/05/45/209270545.db2.gz JQWAQKBIEGZNFN-CYBMUJFWSA-N 0 0 386.335 2.513 50 5 GFBARN COc1ccc(-c2nc3ccccc3n3cc4c(c23)n(C)c(=O)n(C)c4=O)cc1 ZINC000000804797 209267899 /nfs/dbraw/zinc/26/78/99/209267899.db2.gz UGTLTFJXHCGKQH-UHFFFAOYSA-N 0 0 386.411 2.714 50 5 GFBARN COc1cc(C)c(S(=O)(=O)NOCc2ccc([N+](=O)[O-])cc2)c(C)c1C ZINC000000680246 209259649 /nfs/dbraw/zinc/25/96/49/209259649.db2.gz CIUKXADFAABHEW-UHFFFAOYSA-N 0 0 380.422 2.939 50 5 GFBARN C[C@H](NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)OCCO2 ZINC000025612092 211816196 /nfs/dbraw/zinc/81/61/96/211816196.db2.gz VRAACQAAJANCHR-ZDUSSCGKSA-N 0 0 383.404 2.606 50 5 GFBARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000006081605 211575041 /nfs/dbraw/zinc/57/50/41/211575041.db2.gz FHTUNYQZFMVDAT-INIZCTEOSA-N 0 0 396.399 2.991 50 5 GFBARN COc1ccc(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC ZINC000006424247 211575866 /nfs/dbraw/zinc/57/58/66/211575866.db2.gz NVANZZRMWMLUNV-UHFFFAOYSA-N 0 0 389.360 2.764 50 5 GFBARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004496327 211546111 /nfs/dbraw/zinc/54/61/11/211546111.db2.gz OMHZZEFYZHXXBN-UHFFFAOYSA-N 0 0 377.403 2.617 50 5 GFBARN Cc1sc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000048342719 211454776 /nfs/dbraw/zinc/45/47/76/211454776.db2.gz DIDYMADTXMRHPI-SNVBAGLBSA-N 0 0 397.478 2.706 50 5 GFBARN CNc1c2ccccc2oc(=O)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000101366575 211398109 /nfs/dbraw/zinc/39/81/09/211398109.db2.gz SABNMRNIVPXIKV-UHFFFAOYSA-N 0 0 397.343 2.782 50 5 GFBARN CCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100627755 211389335 /nfs/dbraw/zinc/38/93/35/211389335.db2.gz SQHWNJZMMIIRJO-UHFFFAOYSA-N 0 0 379.464 2.519 50 5 GFBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2nccs2)CC1 ZINC000096931217 211352370 /nfs/dbraw/zinc/35/23/70/211352370.db2.gz FSJUYOVERKKKSD-LLVKDONJSA-N 0 0 395.872 2.854 50 5 GFBARN CC(=O)N1CCc2cc(NC(=O)CN3c4ccc([N+](=O)[O-])cc4C[C@H]3C)ccc21 ZINC000089941414 211188393 /nfs/dbraw/zinc/18/83/93/211188393.db2.gz AAQMAHVAJQYSIN-CYBMUJFWSA-N 0 0 394.431 2.894 50 5 GFBARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(Br)c1 ZINC000071767356 211060704 /nfs/dbraw/zinc/06/07/04/211060704.db2.gz XLQUTUXJTFGCHW-SSZFMOIBSA-N 0 0 385.243 2.899 50 5 GFBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000064819710 210949192 /nfs/dbraw/zinc/94/91/92/210949192.db2.gz YWDXHKIRQVBUTD-HNNXBMFYSA-N 0 0 391.181 2.991 50 5 GFBARN Cc1nn(CC(=O)NCc2ccnc(OCc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC000046851830 210838854 /nfs/dbraw/zinc/83/88/54/210838854.db2.gz JLVOCKNTRGOUMD-UHFFFAOYSA-N 0 0 395.419 2.699 50 5 GFBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000032854215 210593395 /nfs/dbraw/zinc/59/33/95/210593395.db2.gz HDCSTFHHLRKXEM-OAHLLOKOSA-N 0 0 389.795 2.536 50 5 GFBARN CCOc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030540295 210553527 /nfs/dbraw/zinc/55/35/27/210553527.db2.gz XINODZFFHHNBSC-SFHVURJKSA-N 0 0 399.447 2.797 50 5 GFBARN Cc1c(CSc2nnc(-c3ccco3)n2CCC(N)=O)cccc1[N+](=O)[O-] ZINC000040127885 210531255 /nfs/dbraw/zinc/53/12/55/210531255.db2.gz ZGVHUSMUGWUXNL-UHFFFAOYSA-N 0 0 387.421 2.922 50 5 GFBARN Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020893199 210366666 /nfs/dbraw/zinc/36/66/66/210366666.db2.gz PKOYZZDJEMYBCW-UHFFFAOYSA-N 0 0 395.419 2.566 50 5 GFBARN Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000020893204 210366065 /nfs/dbraw/zinc/36/60/65/210366065.db2.gz ULAQDRBZXPIIDP-UHFFFAOYSA-N 0 0 395.419 2.566 50 5 GFBARN Cn1cc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21 ZINC000020745733 210361470 /nfs/dbraw/zinc/36/14/70/210361470.db2.gz KEPGXUHKQDZQRX-UHFFFAOYSA-N 0 0 392.415 2.685 50 5 GFBARN Cc1cccc(-n2cc3c(c2-c2cccc([N+](=O)[O-])c2)c(=O)n(C)c(=O)n3C)c1 ZINC000020443125 210333340 /nfs/dbraw/zinc/33/33/40/210333340.db2.gz CSANEKXHKKNFAP-UHFFFAOYSA-N 0 0 390.399 2.912 50 5 GFBARN CCOc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC ZINC000019789925 210295205 /nfs/dbraw/zinc/29/52/05/210295205.db2.gz MJNAPRDSPRXTQM-UHFFFAOYSA-N 0 0 399.447 2.960 50 5 GFBARN COc1ccccc1NC(=O)Cc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000009112045 221070623 /nfs/dbraw/zinc/07/06/23/221070623.db2.gz YTLCHSGOPIMLMP-UHFFFAOYSA-N 0 0 384.348 2.747 50 5 GFBARN O=C(c1cncc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004758600 136196753 /nfs/dbraw/zinc/19/67/53/136196753.db2.gz FEBUCNQYJBPXMG-UHFFFAOYSA-N 0 0 391.225 2.715 50 5 GFBARN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000000812014 519473376 /nfs/dbraw/zinc/47/33/76/519473376.db2.gz ZKFSOTRFUFUSTP-UHFFFAOYSA-N 0 0 386.408 2.745 50 5 GFBARN CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000006053716 570229464 /nfs/dbraw/zinc/22/94/64/570229464.db2.gz RHJWOWZWPHUWAU-UHFFFAOYSA-N 0 0 397.497 2.609 50 5 GFBARN Cc1cccc(OCCOC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000006084509 570239121 /nfs/dbraw/zinc/23/91/21/570239121.db2.gz ITOKTEDENAJXOL-UHFFFAOYSA-N 0 0 398.371 2.512 50 5 GFBARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006175294 570281342 /nfs/dbraw/zinc/28/13/42/570281342.db2.gz GWDUQOQXYLAVSS-ZETCQYMHSA-N 0 0 375.332 2.861 50 5 GFBARN Cc1nn(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1[N+](=O)[O-] ZINC000023424963 570323119 /nfs/dbraw/zinc/32/31/19/570323119.db2.gz RDNKYTVFGVJQIH-UHFFFAOYSA-N 0 0 384.362 2.602 50 5 GFBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccn2)CC1 ZINC000023424206 570323261 /nfs/dbraw/zinc/32/32/61/570323261.db2.gz OFXLCIQXNLROGJ-CYBMUJFWSA-N 0 0 389.843 2.792 50 5 GFBARN CNC(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000024928672 570356536 /nfs/dbraw/zinc/35/65/36/570356536.db2.gz FHMRWXPIQYAHSY-UHFFFAOYSA-N 0 0 382.420 2.937 50 5 GFBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000005033286 570401662 /nfs/dbraw/zinc/40/16/62/570401662.db2.gz FTLBRRQPZNUGAT-UWVGGRQHSA-N 0 0 378.820 2.978 50 5 GFBARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000004412722 570745429 /nfs/dbraw/zinc/74/54/29/570745429.db2.gz RKKRRTPSRDKVHY-UHFFFAOYSA-N 0 0 386.408 2.889 50 5 GFBARN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000025369431 570748148 /nfs/dbraw/zinc/74/81/48/570748148.db2.gz KLEHPXITYQJCNY-UHFFFAOYSA-N 0 0 382.369 2.547 50 5 GFBARN CNS(=O)(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000005860660 570798205 /nfs/dbraw/zinc/79/82/05/570798205.db2.gz PTHZOZWZKGPWLM-UHFFFAOYSA-N 0 0 389.477 2.962 50 5 GFBARN CC1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000005972338 570811146 /nfs/dbraw/zinc/81/11/46/570811146.db2.gz NTVMLNIDBBTFGE-UHFFFAOYSA-N 0 0 375.425 2.610 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N1CCCC1=O ZINC000012517041 570825667 /nfs/dbraw/zinc/82/56/67/570825667.db2.gz RYEOXOFCHTYTFM-UHFFFAOYSA-N 0 0 384.392 2.781 50 5 GFBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1 ZINC000012521683 570828173 /nfs/dbraw/zinc/82/81/73/570828173.db2.gz WTNDSHBJXWXIRQ-UHFFFAOYSA-N 0 0 382.420 2.954 50 5 GFBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000170594195 570852106 /nfs/dbraw/zinc/85/21/06/570852106.db2.gz ARQCPVKSQVYVHM-HNNXBMFYSA-N 0 0 377.759 2.701 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000004193011 654442776 /nfs/dbraw/zinc/44/27/76/654442776.db2.gz LJODWAUWUBXBPY-UHFFFAOYSA-N 0 0 387.870 2.821 50 5 GFBARN CCOC(=O)CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000008855218 654487206 /nfs/dbraw/zinc/48/72/06/654487206.db2.gz BADKMMLOHQTQQI-UHFFFAOYSA-N 0 0 382.423 2.662 50 5 GFBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000241446934 231038819 /nfs/dbraw/zinc/03/88/19/231038819.db2.gz NPSRBIIIGJCNPA-QWQRMKEZSA-N 0 0 397.497 2.995 50 5 GFBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000016753935 210197481 /nfs/dbraw/zinc/19/74/81/210197481.db2.gz ZITWSRVTNCJLQD-OAHLLOKOSA-N 0 0 392.408 2.563 50 5 GFBARN O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000016698970 210194741 /nfs/dbraw/zinc/19/47/41/210194741.db2.gz BZIRKMPQSKYERS-UHFFFAOYSA-N 0 0 384.388 2.807 50 5 GFBARN Cc1c(Cl)cccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000016250009 210187225 /nfs/dbraw/zinc/18/72/25/210187225.db2.gz BTSBGHCGBICNRN-UHFFFAOYSA-N 0 0 397.840 2.961 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(Sc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000012926339 210032886 /nfs/dbraw/zinc/03/28/86/210032886.db2.gz BGVKGXUWCYXEKZ-UHFFFAOYSA-N 0 0 397.482 2.772 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)c1C ZINC000012868792 210019944 /nfs/dbraw/zinc/01/99/44/210019944.db2.gz OMWNJDCXAJAUIS-UHFFFAOYSA-N 0 0 376.390 2.864 50 5 GFBARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000008586849 209786510 /nfs/dbraw/zinc/78/65/10/209786510.db2.gz HEIBPNXYUJMVPV-UHFFFAOYSA-N 0 0 389.433 2.868 50 5 GFBARN CCOC(=O)c1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1C ZINC000005710221 209611414 /nfs/dbraw/zinc/61/14/14/209611414.db2.gz UATDTCFOSVEQPM-ICFOKQHNSA-N 0 0 383.813 2.874 50 5 GFBARN O=C(O[C@H]1CCOC1=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003249191 209417908 /nfs/dbraw/zinc/41/79/08/209417908.db2.gz PNGUBLCBCWLWMI-HNNXBMFYSA-N 0 0 389.747 2.952 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCCC2)N2CCCCC2)cc1 ZINC000002857555 209391214 /nfs/dbraw/zinc/39/12/14/209391214.db2.gz UWHKGMAZFDNPRL-GOSISDBHSA-N 0 0 395.525 2.709 50 5 GFBARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C(N)=O ZINC000002091842 209346099 /nfs/dbraw/zinc/34/60/99/209346099.db2.gz NUJUEZKHVOLXEG-UHFFFAOYSA-N 0 0 378.366 2.787 50 5 GFBARN CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001163433 209309256 /nfs/dbraw/zinc/30/92/56/209309256.db2.gz WOBYFAXGPKAFGC-UHFFFAOYSA-N 0 0 383.813 2.507 50 5 GFBARN O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000001171900 209309937 /nfs/dbraw/zinc/30/99/37/209309937.db2.gz ZODUKHPKEPULJR-MRXNPFEDSA-N 0 0 391.177 2.770 50 5 GFBARN Cc1cc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000001146690 209306250 /nfs/dbraw/zinc/30/62/50/209306250.db2.gz WWUOWCQXUYQTKY-UHFFFAOYSA-N 0 0 391.449 2.925 50 5 GFBARN NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br ZINC000001144960 209307259 /nfs/dbraw/zinc/30/72/59/209307259.db2.gz DTMQBWOYICYATA-NTEUORMPSA-N 0 0 390.193 2.614 50 5 GFBARN COc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000001053693 209293721 /nfs/dbraw/zinc/29/37/21/209293721.db2.gz DHCBPLXLOXJZPE-UHFFFAOYSA-N 0 0 383.404 2.768 50 5 GFBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000943474 209282248 /nfs/dbraw/zinc/28/22/48/209282248.db2.gz FCAJVOXDOJCFDY-DHZHZOJOSA-N 0 0 396.355 2.534 50 5 GFBARN COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1OC ZINC000000826477 209269651 /nfs/dbraw/zinc/26/96/51/209269651.db2.gz AMCRMQJBXHSXSU-UHFFFAOYSA-N 0 0 399.201 2.518 50 5 GFBARN O=C(N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1)C(F)(F)F ZINC000000652050 209255818 /nfs/dbraw/zinc/25/58/18/209255818.db2.gz LSDMOGIROATCMI-UHFFFAOYSA-N 0 0 393.277 2.744 50 5 GFBARN Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000096639911 209242140 /nfs/dbraw/zinc/24/21/40/209242140.db2.gz KZTBTRCGGKUNHL-BENRWUELSA-N 0 0 389.433 2.822 50 5 GFBARN CC(C)(C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@H]3N=NN1c1ccccc1[N+](=O)[O-] ZINC000245234497 209215097 /nfs/dbraw/zinc/21/50/97/209215097.db2.gz BGEBNCFBGNHABL-UHAWRJBMSA-N 0 0 383.408 2.569 50 5 GFBARN C[C@H](OC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000229373354 209186935 /nfs/dbraw/zinc/18/69/35/209186935.db2.gz FCYPCCQVBJCHFR-SFCPSPBFSA-N 0 0 396.827 2.829 50 5 GFBARN CCCCN(C(=O)CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025668611 209176771 /nfs/dbraw/zinc/17/67/71/209176771.db2.gz PAKAWBHFUBCKDB-UHFFFAOYSA-N 0 0 387.414 2.840 50 5 GFBARN CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000023392765 211791482 /nfs/dbraw/zinc/79/14/82/211791482.db2.gz MBRMXFKCPLIMLV-UHFFFAOYSA-N 0 0 396.377 2.940 50 5 GFBARN Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004871794 211553944 /nfs/dbraw/zinc/55/39/44/211553944.db2.gz SKIDUKLHSBCHQH-UHFFFAOYSA-N 0 0 394.181 2.735 50 5 GFBARN C[C@@]1(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCc2ccccc21 ZINC000095958475 211287634 /nfs/dbraw/zinc/28/76/34/211287634.db2.gz FNRBETTWUUCFTO-HXUWFJFHSA-N 0 0 381.388 2.871 50 5 GFBARN COc1ccc([C@H](NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C(C)C)cc1 ZINC000089801716 211183316 /nfs/dbraw/zinc/18/33/16/211183316.db2.gz SIHVAPMSJGMNIS-QGZVFWFLSA-N 0 0 393.827 2.932 50 5 GFBARN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002735739 209380497 /nfs/dbraw/zinc/38/04/97/209380497.db2.gz MBSKBOPPUOAWLI-UHFFFAOYSA-N 0 0 392.375 2.930 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019842619 210302586 /nfs/dbraw/zinc/30/25/86/210302586.db2.gz WIYBMMXLBGGXJL-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019842617 210302361 /nfs/dbraw/zinc/30/23/61/210302361.db2.gz RBORKWFPBPQFKK-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000057943070 136154193 /nfs/dbraw/zinc/15/41/93/136154193.db2.gz DQZKUGBIQIDMER-HNNXBMFYSA-N 0 0 396.447 2.947 50 5 GFBARN CC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096316914 136186272 /nfs/dbraw/zinc/18/62/72/136186272.db2.gz KFZYTARJCNIAAC-UHFFFAOYSA-N 0 0 395.463 2.830 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000006120401 570249225 /nfs/dbraw/zinc/24/92/25/570249225.db2.gz QHPACDSHBNZOCB-UHFFFAOYSA-N 0 0 377.400 2.986 50 5 GFBARN CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026843818 570439357 /nfs/dbraw/zinc/43/93/57/570439357.db2.gz DXLMGDYNMSMSAX-QGZVFWFLSA-N 0 0 389.477 2.710 50 5 GFBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000006550453 570473454 /nfs/dbraw/zinc/47/34/54/570473454.db2.gz BDIPAYRGINEWLA-UHFFFAOYSA-N 0 0 392.293 2.962 50 5 GFBARN CN(CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccco1)C(=O)C1CC1 ZINC000035945933 570482285 /nfs/dbraw/zinc/48/22/85/570482285.db2.gz XPJUMTFIMSZZTE-QGZVFWFLSA-N 0 0 396.403 2.734 50 5 GFBARN Cc1ccc(C2=N/C(=C\c3ccc(-n4cncn4)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000027052786 570500841 /nfs/dbraw/zinc/50/08/41/570500841.db2.gz NRURAVVMRMHPKR-PXNMLYILSA-N 0 0 375.344 2.828 50 5 GFBARN CN[C@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000036123728 570545542 /nfs/dbraw/zinc/54/55/42/570545542.db2.gz ZKZOCVPSSVKPOV-AWEZNQCLSA-N 0 0 389.213 2.642 50 5 GFBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000064819712 570554826 /nfs/dbraw/zinc/55/48/26/570554826.db2.gz OZKJFYGMFIQNJH-HNNXBMFYSA-N 0 0 391.181 2.991 50 5 GFBARN COCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000005354111 570559927 /nfs/dbraw/zinc/55/99/27/570559927.db2.gz IWWKEAJNIDXSDJ-UHFFFAOYSA-N 0 0 375.428 2.952 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(OCc2ccc(F)cc2)c1=O ZINC000004325909 570566748 /nfs/dbraw/zinc/56/67/48/570566748.db2.gz IJHFCNXJVPPWQX-UHFFFAOYSA-N 0 0 383.335 2.777 50 5 GFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036395287 570679286 /nfs/dbraw/zinc/67/92/86/570679286.db2.gz SKQASMYHQOLTOZ-LBPRGKRZSA-N 0 0 391.391 2.885 50 5 GFBARN Cc1cc(NC(=O)COC(=O)Cn2cnc3ccccc32)c([N+](=O)[O-])cc1C ZINC000005657618 570679962 /nfs/dbraw/zinc/67/99/62/570679962.db2.gz PDMQNXBDWTZEAD-UHFFFAOYSA-N 0 0 382.376 2.743 50 5 GFBARN Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])n1 ZINC000025116552 570725151 /nfs/dbraw/zinc/72/51/51/570725151.db2.gz DSMPAESGXLXTJR-OAHLLOKOSA-N 0 0 399.403 2.812 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000007040320 570756306 /nfs/dbraw/zinc/75/63/06/570756306.db2.gz KGNLAXDBZKOXDV-LLVKDONJSA-N 0 0 375.356 2.520 50 5 GFBARN O=[N+]([O-])c1c(Sc2nnc(NC[C@H]3CCCO3)s2)nc2ccccn21 ZINC000052720783 570792412 /nfs/dbraw/zinc/79/24/12/570792412.db2.gz QJHLXOVLZBNUPW-SECBINFHSA-N 0 0 378.439 2.836 50 5 GFBARN CN(C)c1nc(N2CCCC2)nc2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000034755446 570796614 /nfs/dbraw/zinc/79/66/14/570796614.db2.gz CQMGTXCDFFVUJR-UHFFFAOYSA-N 0 0 382.468 2.609 50 5 GFBARN Cc1ccc(OCC(=O)N(C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000007229541 570817666 /nfs/dbraw/zinc/81/76/66/570817666.db2.gz WYOXRRUENYTDNP-UHFFFAOYSA-N 0 0 379.800 2.868 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000005702341 570828139 /nfs/dbraw/zinc/82/81/39/570828139.db2.gz WFEOGCIIYFJSJH-JTQLQIEISA-N 0 0 390.323 2.705 50 5 GFBARN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1N1CCOCC1 ZINC000012554418 570857498 /nfs/dbraw/zinc/85/74/98/570857498.db2.gz VTIUEWUTIIKRNG-INIZCTEOSA-N 0 0 398.463 2.890 50 5 GFBARN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000032860179 570860626 /nfs/dbraw/zinc/86/06/26/570860626.db2.gz ZTIDXRRYTISXNF-PBHICJAKSA-N 0 0 380.360 2.791 50 5 GFBARN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000032860181 570860697 /nfs/dbraw/zinc/86/06/97/570860697.db2.gz ZTIDXRRYTISXNF-RHSMWYFYSA-N 0 0 380.360 2.791 50 5 GFBARN COc1ccc(N2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 ZINC000004727975 570883181 /nfs/dbraw/zinc/88/31/81/570883181.db2.gz BICADBWHRDQTTK-GOSISDBHSA-N 0 0 394.387 2.600 50 5 GFBARN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000012599667 570886106 /nfs/dbraw/zinc/88/61/06/570886106.db2.gz FLRQAKZKVTZDBT-UHFFFAOYSA-N 0 0 388.327 2.736 50 5 GFBARN CCNC(=O)c1cccc(NC(=O)CN2CCCc3c([N+](=O)[O-])cccc32)c1 ZINC000089977533 570922782 /nfs/dbraw/zinc/92/27/82/570922782.db2.gz UGTVDTXXYVEMMS-UHFFFAOYSA-N 0 0 382.420 2.736 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010183 570925708 /nfs/dbraw/zinc/92/57/08/570925708.db2.gz ROMALMYWVULERQ-PBHICJAKSA-N 0 0 385.420 2.544 50 5 GFBARN CCc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000032937425 570953169 /nfs/dbraw/zinc/95/31/69/570953169.db2.gz PHVUIBJAWYBLNL-INIZCTEOSA-N 0 0 391.811 2.599 50 5 GFBARN CN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000083862662 570974138 /nfs/dbraw/zinc/97/41/38/570974138.db2.gz JLBYBKYVPZDZMU-UHFFFAOYSA-N 0 0 392.828 2.622 50 5 GFBARN CC(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3sc(C)cn23)CC1 ZINC000037400148 571007905 /nfs/dbraw/zinc/00/79/05/571007905.db2.gz SLLAZAHWMIQVCN-UHFFFAOYSA-N 0 0 399.476 2.944 50 5 GFBARN COc1ccc(COC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000007769447 571034467 /nfs/dbraw/zinc/03/44/67/571034467.db2.gz SMAPCLWXMQJDPX-NSHDSACASA-N 0 0 376.340 2.604 50 5 GFBARN O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)c1 ZINC000002711832 654437180 /nfs/dbraw/zinc/43/71/80/654437180.db2.gz LTQXXOVZDCILMR-UHFFFAOYSA-N 0 0 377.447 2.889 50 5 GFBARN COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1[N+](=O)[O-] ZINC000004149982 654442696 /nfs/dbraw/zinc/44/26/96/654442696.db2.gz PNEQSOCCSXSXQG-UHFFFAOYSA-N 0 0 382.375 2.572 50 5 GFBARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000017719488 210209027 /nfs/dbraw/zinc/20/90/27/210209027.db2.gz RQSGRSURZIQZCI-JTQLQIEISA-N 0 0 392.437 2.759 50 5 GFBARN O=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5cnnc-5ncn4[nH]3)o2)cc1 ZINC000017077146 210200770 /nfs/dbraw/zinc/20/07/70/210200770.db2.gz GAVOQZYUDUOFQN-UHFFFAOYSA-N 0 0 377.320 2.748 50 5 GFBARN CCOC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc([N+](=O)[O-])c1 ZINC000016015436 210181654 /nfs/dbraw/zinc/18/16/54/210181654.db2.gz OBJWQJGZNDSEEL-UHFFFAOYSA-N 0 0 397.387 2.916 50 5 GFBARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)nn1 ZINC000015880782 210178307 /nfs/dbraw/zinc/17/83/07/210178307.db2.gz OQJOAOZSYANLQR-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1 ZINC000015880862 210177887 /nfs/dbraw/zinc/17/78/87/210177887.db2.gz XMQJIEVNVPSJSC-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012811463 210013716 /nfs/dbraw/zinc/01/37/16/210013716.db2.gz YFSSFEFVOUAQIE-UHFFFAOYSA-N 0 0 388.468 2.648 50 5 GFBARN O=C(CSc1nc2ccccc2c2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000012139481 209912205 /nfs/dbraw/zinc/91/22/05/209912205.db2.gz BJASZJMMYRHHGR-CYBMUJFWSA-N 0 0 386.498 2.783 50 5 GFBARN COc1ccc(OCC(=O)NCCc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000008745251 209797292 /nfs/dbraw/zinc/79/72/92/209797292.db2.gz HJRBBFYVHVPWIU-UHFFFAOYSA-N 0 0 396.346 2.943 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c([N+](=O)[O-])cc1C ZINC000006593098 209659725 /nfs/dbraw/zinc/65/97/25/209659725.db2.gz SUFOVYULHCSWKH-IBGZPJMESA-N 0 0 390.440 2.897 50 5 GFBARN COc1ccc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000005895764 209621811 /nfs/dbraw/zinc/62/18/11/209621811.db2.gz DZNLEVZJWYVIGS-UHFFFAOYSA-N 0 0 399.447 2.893 50 5 GFBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)COc1ccc(F)cc1 ZINC000004917957 209546364 /nfs/dbraw/zinc/54/63/64/209546364.db2.gz HGCSKJPJJVNCTJ-CYBMUJFWSA-N 0 0 391.374 2.989 50 5 GFBARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004740689 209520409 /nfs/dbraw/zinc/52/04/09/209520409.db2.gz NYKBZPHCXWVJED-UHFFFAOYSA-N 0 0 399.355 2.755 50 5 GFBARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000004554698 209495439 /nfs/dbraw/zinc/49/54/39/209495439.db2.gz UMUQVSUGGSLWNI-FQEVSTJZSA-N 0 0 384.388 2.819 50 5 GFBARN CC1=C(C(N)=O)[C@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3cccs3)nc2N1 ZINC000004294131 209477619 /nfs/dbraw/zinc/47/76/19/209477619.db2.gz AZRODERCGMTLNX-AWEZNQCLSA-N 0 0 382.405 2.689 50 5 GFBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Br ZINC000003431916 209435515 /nfs/dbraw/zinc/43/55/15/209435515.db2.gz JTOCRXCHRPLFJE-UHFFFAOYSA-N 0 0 378.182 2.726 50 5 GFBARN O=C(COC(=O)c1cccnc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003331722 209424134 /nfs/dbraw/zinc/42/41/34/209424134.db2.gz NFBHQOHIPPDPAR-UHFFFAOYSA-N 0 0 384.373 2.909 50 5 GFBARN O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003348693 209427010 /nfs/dbraw/zinc/42/70/10/209427010.db2.gz JJDWDDKMJRLRCC-UHFFFAOYSA-N 0 0 398.144 2.687 50 5 GFBARN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1)CCCC2 ZINC000002763226 209382678 /nfs/dbraw/zinc/38/26/78/209382678.db2.gz VGPGVKIYAORNOF-SECBINFHSA-N 0 0 378.410 2.718 50 5 GFBARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001155994 209308013 /nfs/dbraw/zinc/30/80/13/209308013.db2.gz LSYBJPYXPRXZQG-UHFFFAOYSA-N 0 0 392.795 2.924 50 5 GFBARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001137185 209305864 /nfs/dbraw/zinc/30/58/64/209305864.db2.gz UZCBJGWORPNRDV-UHFFFAOYSA-N 0 0 377.422 2.924 50 5 GFBARN COc1ccc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000001070631 209296815 /nfs/dbraw/zinc/29/68/15/209296815.db2.gz IIFFVJQINMJXQC-UHFFFAOYSA-N 0 0 398.371 2.691 50 5 GFBARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000939655 209280341 /nfs/dbraw/zinc/28/03/41/209280341.db2.gz AANIJPQAVWWBOE-UHFFFAOYSA-N 0 0 386.433 2.558 50 5 GFBARN CC[C@]1(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC(=O)NC1=O ZINC000054199093 211730388 /nfs/dbraw/zinc/73/03/88/211730388.db2.gz QYPRCCGFWTXIRK-HXUWFJFHSA-N 0 0 381.388 2.932 50 5 GFBARN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000014829338 211706723 /nfs/dbraw/zinc/70/67/23/211706723.db2.gz MBUXEBZICIKGDU-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(OCC)c([N+](=O)[O-])c1 ZINC000004825214 211549801 /nfs/dbraw/zinc/54/98/01/211549801.db2.gz SXUNZFXBBOZKQD-HNNXBMFYSA-N 0 0 393.396 2.583 50 5 GFBARN O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc2ccccc21 ZINC000100903052 211392234 /nfs/dbraw/zinc/39/22/34/211392234.db2.gz HRCJDEHJZBBFEE-QGZVFWFLSA-N 0 0 376.372 2.997 50 5 GFBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(C(=O)OCc2ccccc2)C1 ZINC000095467384 211245903 /nfs/dbraw/zinc/24/59/03/211245903.db2.gz AJFBRJOHYUDOPR-UHFFFAOYSA-N 0 0 383.404 2.599 50 5 GFBARN Cn1c2cn(-c3ccc(F)cc3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000020443174 210333335 /nfs/dbraw/zinc/33/33/35/210333335.db2.gz OIEXPSLSKOOMLJ-UHFFFAOYSA-N 0 0 394.362 2.742 50 5 GFBARN O=C(N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019800043 210298547 /nfs/dbraw/zinc/29/85/47/210298547.db2.gz VANHQYGKEDTASY-DGCLKSJQSA-N 0 0 396.658 2.790 50 5 GFBARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000001135496 220479265 /nfs/dbraw/zinc/47/92/65/220479265.db2.gz FBJQVONEMXRLFO-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN CNS(=O)(=O)c1ccc(N2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000011173128 221111893 /nfs/dbraw/zinc/11/18/93/221111893.db2.gz OWDBHIMKKRDQQV-UHFFFAOYSA-N 0 0 386.433 2.547 50 5 GFBARN O=C(Nc1cccc2cnccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000043161569 132415758 /nfs/dbraw/zinc/41/57/58/132415758.db2.gz OSAIQABHNGRNLZ-UHFFFAOYSA-N 0 0 378.392 2.892 50 5 GFBARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000059939030 136155838 /nfs/dbraw/zinc/15/58/38/136155838.db2.gz QGNQWDXGVIYVNY-UHFFFAOYSA-N 0 0 390.827 2.715 50 5 GFBARN C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000065605426 136164135 /nfs/dbraw/zinc/16/41/35/136164135.db2.gz CXRAOWMGVFQDFX-CQSZACIVSA-N 0 0 380.876 2.771 50 5 GFBARN Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])cc4C(N)=O)C3)nc2c1 ZINC000096006338 136183255 /nfs/dbraw/zinc/18/32/55/136183255.db2.gz PJTOYPXXELJGPJ-LBPRGKRZSA-N 0 0 380.408 2.657 50 5 GFBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 ZINC000004189784 136193633 /nfs/dbraw/zinc/19/36/33/136193633.db2.gz RZWPUQWLNIPGKL-UHFFFAOYSA-N 0 0 388.351 2.610 50 5 GFBARN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012536585 136200501 /nfs/dbraw/zinc/20/05/01/136200501.db2.gz YSKHETZTJPMWQK-CYBMUJFWSA-N 0 0 387.358 2.846 50 5 GFBARN C=CC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000005494969 551097687 /nfs/dbraw/zinc/09/76/87/551097687.db2.gz CBKSPBWYAXICIL-JTQLQIEISA-N 0 0 397.671 2.880 50 5 GFBARN COc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004846346 570340670 /nfs/dbraw/zinc/34/06/70/570340670.db2.gz JNARGMZOLHMMSW-UHFFFAOYSA-N 0 0 388.420 2.845 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1 ZINC000024748928 570391321 /nfs/dbraw/zinc/39/13/21/570391321.db2.gz KELIROVGEUMQPW-UHFFFAOYSA-N 0 0 398.444 2.654 50 5 GFBARN Cc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000005054685 570406550 /nfs/dbraw/zinc/40/65/50/570406550.db2.gz AKAMFEUCECQIHF-UHFFFAOYSA-N 0 0 379.372 2.946 50 5 GFBARN CN(C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011851780 570439092 /nfs/dbraw/zinc/43/90/92/570439092.db2.gz YNDRNJIBYJGZCK-LLVKDONJSA-N 0 0 398.824 2.767 50 5 GFBARN CN1CCN([C@H](CNC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000024239695 570482186 /nfs/dbraw/zinc/48/21/86/570482186.db2.gz UKXOOMKQXHOHCT-MRXNPFEDSA-N 0 0 389.481 2.767 50 5 GFBARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000036007252 570510834 /nfs/dbraw/zinc/51/08/34/570510834.db2.gz BBVJFWCSIASLQW-KBPBESRZSA-N 0 0 377.441 2.903 50 5 GFBARN C[C@@H](O)CNc1nc2ccccc2nc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000006672955 570529610 /nfs/dbraw/zinc/52/96/10/570529610.db2.gz UADYRBFKZUEBPX-CYBMUJFWSA-N 0 0 382.424 2.855 50 5 GFBARN CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCCC1)c3=O ZINC000006733144 570557656 /nfs/dbraw/zinc/55/76/56/570557656.db2.gz ZHQVJOIEFMWOPF-UHFFFAOYSA-N 0 0 381.436 2.877 50 5 GFBARN CCC1CCC2(CC1)NC(=O)N(Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2=O ZINC000005341987 570557819 /nfs/dbraw/zinc/55/78/19/570557819.db2.gz PIHGHSMAAVBJQU-UHFFFAOYSA-N 0 0 389.408 2.852 50 5 GFBARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000005355088 570560382 /nfs/dbraw/zinc/56/03/82/570560382.db2.gz YBNAKJKGWVDMRP-LBPRGKRZSA-N 0 0 392.433 2.920 50 5 GFBARN CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000006757621 570574432 /nfs/dbraw/zinc/57/44/32/570574432.db2.gz TXMPCYGTFDRXNS-INIZCTEOSA-N 0 0 398.371 2.626 50 5 GFBARN CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000052510609 570751483 /nfs/dbraw/zinc/75/14/83/570751483.db2.gz LXZJTOKCVDZKFP-HNNXBMFYSA-N 0 0 379.413 2.984 50 5 GFBARN COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000007058516 570775425 /nfs/dbraw/zinc/77/54/25/570775425.db2.gz IISZZJKNIIQIJH-UHFFFAOYSA-N 0 0 384.344 2.585 50 5 GFBARN O=[N+]([O-])c1c(Sc2nnc(NC[C@@H]3CCCO3)s2)nc2ccccn21 ZINC000052720779 570792282 /nfs/dbraw/zinc/79/22/82/570792282.db2.gz QJHLXOVLZBNUPW-VIFPVBQESA-N 0 0 378.439 2.836 50 5 GFBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 ZINC000005950316 570807803 /nfs/dbraw/zinc/80/78/03/570807803.db2.gz UTIPQCQKJFCBKV-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000012523201 570829566 /nfs/dbraw/zinc/82/95/66/570829566.db2.gz NPSRBIIIGJCNPA-GLJUWKHASA-N 0 0 397.497 2.995 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1C ZINC000007325586 570829658 /nfs/dbraw/zinc/82/96/58/570829658.db2.gz CAUJCLDTQABPEE-NSHDSACASA-N 0 0 391.405 2.732 50 5 GFBARN CN(c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)S(C)(=O)=O ZINC000004682177 570830255 /nfs/dbraw/zinc/83/02/55/570830255.db2.gz SUKOZBDODMGISM-UHFFFAOYSA-N 0 0 383.813 2.896 50 5 GFBARN O=C(NC1CC1)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000012549507 570852404 /nfs/dbraw/zinc/85/24/04/570852404.db2.gz SFHOTKNSRIZJEN-UHFFFAOYSA-N 0 0 386.477 2.871 50 5 GFBARN C[C@@H](c1cccs1)N(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000033235770 570855018 /nfs/dbraw/zinc/85/50/18/570855018.db2.gz ZXYABBNAMHKGET-NSHDSACASA-N 0 0 375.406 2.601 50 5 GFBARN CC1(c2cc(N3CCN(C(=O)CCNc4ccccc4[N+](=O)[O-])CC3)n[nH]2)CC1 ZINC000170599067 570857299 /nfs/dbraw/zinc/85/72/99/570857299.db2.gz RMVKWAXGODAROJ-UHFFFAOYSA-N 0 0 398.467 2.520 50 5 GFBARN COc1ccc(OC)c(CN2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)c1 ZINC000170624573 570880638 /nfs/dbraw/zinc/88/06/38/570880638.db2.gz XJRUAGKLEAARIQ-UHFFFAOYSA-N 0 0 387.436 2.943 50 5 GFBARN COc1cc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC ZINC000004588147 570922900 /nfs/dbraw/zinc/92/29/00/570922900.db2.gz UWIROUOECRUXRH-ZSOIEALJSA-N 0 0 384.344 2.965 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066361 570927072 /nfs/dbraw/zinc/92/70/72/570927072.db2.gz ARVTWDLGBPMVMK-SFHVURJKSA-N 0 0 397.387 2.845 50 5 GFBARN CC(=O)c1ccccc1NC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844473 570950822 /nfs/dbraw/zinc/95/08/22/570950822.db2.gz HXUJZZCXVZMGFO-UHFFFAOYSA-N 0 0 382.420 2.558 50 5 GFBARN O=[N+]([O-])c1ccc(NCCN2CCOc3nc4ccccc4nc32)c([N+](=O)[O-])c1 ZINC000004125041 570960277 /nfs/dbraw/zinc/96/02/77/570960277.db2.gz FXDNPKGNEKZJEQ-UHFFFAOYSA-N 0 0 396.363 2.757 50 5 GFBARN O=C(Nc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1)c1cccs1 ZINC000084374469 571016003 /nfs/dbraw/zinc/01/60/03/571016003.db2.gz SVCRGIXGMXVRHE-UHFFFAOYSA-N 0 0 385.405 2.535 50 5 GFBARN CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1=O ZINC000037521729 571022942 /nfs/dbraw/zinc/02/29/42/571022942.db2.gz XLBZZEAKSZAQAX-CQSZACIVSA-N 0 0 383.404 2.871 50 5 GFBARN Cc1c(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)cccc1[N+](=O)[O-] ZINC000015661240 571038458 /nfs/dbraw/zinc/03/84/58/571038458.db2.gz FXOLEWOPMUBAHL-UHFFFAOYSA-N 0 0 378.344 2.998 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002663734 654437230 /nfs/dbraw/zinc/43/72/30/654437230.db2.gz NFJRFMXSZOTRDU-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019169153 210229745 /nfs/dbraw/zinc/22/97/45/210229745.db2.gz HWDLCTYLUFEHHW-LVCYWYKZSA-N 0 0 392.415 2.521 50 5 GFBARN O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000017117918 210204381 /nfs/dbraw/zinc/20/43/81/210204381.db2.gz AKIKWOMMKVTIFL-UHFFFAOYSA-N 0 0 376.781 2.626 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695416 210195133 /nfs/dbraw/zinc/19/51/33/210195133.db2.gz ROMALMYWVULERQ-RHSMWYFYSA-N 0 0 385.420 2.544 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000015562037 210158268 /nfs/dbraw/zinc/15/82/68/210158268.db2.gz XTCLSEVVSYBJTJ-LLVKDONJSA-N 0 0 391.811 2.864 50 5 GFBARN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000015378125 210156200 /nfs/dbraw/zinc/15/62/00/210156200.db2.gz RGYPNOPBKLZUIL-ZDUSSCGKSA-N 0 0 397.391 2.757 50 5 GFBARN Cn1c(CN2CCN(C(=O)c3cccs3)CC2)nc2cc([N+](=O)[O-])ccc21 ZINC000013161606 210053898 /nfs/dbraw/zinc/05/38/98/210053898.db2.gz XKXCZYPPWGZQLY-UHFFFAOYSA-N 0 0 385.449 2.501 50 5 GFBARN Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000012996904 210044529 /nfs/dbraw/zinc/04/45/29/210044529.db2.gz LGFQVBZBMWDRIW-UHFFFAOYSA-N 0 0 394.387 2.791 50 5 GFBARN COc1ccc(OC)c(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000012907222 210026013 /nfs/dbraw/zinc/02/60/13/210026013.db2.gz MHORQIOWRZSWSK-UHFFFAOYSA-N 0 0 388.376 2.955 50 5 GFBARN Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012866138 210020266 /nfs/dbraw/zinc/02/02/66/210020266.db2.gz LUILUGXXDGRCKB-ZETCQYMHSA-N 0 0 384.801 2.779 50 5 GFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000012588861 209981504 /nfs/dbraw/zinc/98/15/04/209981504.db2.gz CXAPLKYUQZAGRY-QGZVFWFLSA-N 0 0 385.420 2.995 50 5 GFBARN Cc1cccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000009117936 209813142 /nfs/dbraw/zinc/81/31/42/209813142.db2.gz HEPFVQBCIYIOBC-UHFFFAOYSA-N 0 0 375.450 2.723 50 5 GFBARN CCOC(=O)Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000008745642 209797973 /nfs/dbraw/zinc/79/79/73/209797973.db2.gz RVPLRHAOAAJDOX-UHFFFAOYSA-N 0 0 390.343 2.999 50 5 GFBARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N ZINC000006053643 209626967 /nfs/dbraw/zinc/62/69/67/209626967.db2.gz QAADMOFLGGQBEN-UHFFFAOYSA-N 0 0 384.421 2.606 50 5 GFBARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000003596252 209446894 /nfs/dbraw/zinc/44/68/94/209446894.db2.gz URYAEKOBVKIOQO-HXUWFJFHSA-N 0 0 396.403 2.781 50 5 GFBARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003344552 209426152 /nfs/dbraw/zinc/42/61/52/209426152.db2.gz ZHURLBSTOJEARF-UHFFFAOYSA-N 0 0 388.384 2.749 50 5 GFBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000002912029 209397277 /nfs/dbraw/zinc/39/72/77/209397277.db2.gz HMWOFNPWUZIPIY-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN CCOc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 ZINC000002533450 209368874 /nfs/dbraw/zinc/36/88/74/209368874.db2.gz XLCUHXFUWXXVSL-WJDWOHSUSA-N 0 0 394.412 2.673 50 5 GFBARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O ZINC000002533596 209367665 /nfs/dbraw/zinc/36/76/65/209367665.db2.gz GCXQDNKTAOBCIV-OCCSQVGLSA-N 0 0 375.406 2.807 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1c2cccc3cccc(c23)S1(=O)=O ZINC000002478268 209366127 /nfs/dbraw/zinc/36/61/27/209366127.db2.gz KVIMCKKVUVPQLY-UHFFFAOYSA-N 0 0 390.398 2.646 50 5 GFBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000002628291 209372439 /nfs/dbraw/zinc/37/24/39/209372439.db2.gz APATVCWMZMBBGF-UHFFFAOYSA-N 0 0 377.422 2.714 50 5 GFBARN COCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(C)cc1 ZINC000002359740 209358673 /nfs/dbraw/zinc/35/86/73/209358673.db2.gz XUAODBWHGYFPQG-UHFFFAOYSA-N 0 0 375.428 2.870 50 5 GFBARN C[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000001934909 209342238 /nfs/dbraw/zinc/34/22/38/209342238.db2.gz QREFVEVZJRDUJH-JTQLQIEISA-N 0 0 389.433 2.898 50 5 GFBARN CCOc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000010434205 209340559 /nfs/dbraw/zinc/34/05/59/209340559.db2.gz FNHPAYNANLXJEN-MRXNPFEDSA-N 0 0 387.392 2.565 50 5 GFBARN COc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000010218356 209322210 /nfs/dbraw/zinc/32/22/10/209322210.db2.gz PCVWINUXNZIQQL-UHFFFAOYSA-N 0 0 378.406 2.796 50 5 GFBARN O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000001433046 209328002 /nfs/dbraw/zinc/32/80/02/209328002.db2.gz AESBAWFHEMSQFC-UHFFFAOYSA-N 0 0 394.107 2.606 50 5 GFBARN O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000001208548 209314900 /nfs/dbraw/zinc/31/49/00/209314900.db2.gz JRLJUBSNTYUYNC-HNNXBMFYSA-N 0 0 380.356 2.601 50 5 GFBARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001117813 209303015 /nfs/dbraw/zinc/30/30/15/209303015.db2.gz HDHARYJBDBHLDQ-JTQLQIEISA-N 0 0 383.813 2.554 50 5 GFBARN CC1=Nc2nnnn2[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1 ZINC000000950589 209283113 /nfs/dbraw/zinc/28/31/13/209283113.db2.gz BLNKMDCOXDUDLV-QGZVFWFLSA-N 0 0 392.375 2.614 50 5 GFBARN CC(=O)N(C(C)=O)n1c(/C=C\c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000033922319 211946867 /nfs/dbraw/zinc/94/68/67/211946867.db2.gz BVQWXRRGQXEHBS-KHPPLWFESA-N 0 0 392.371 2.506 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2coc(-c3cccc(Cl)c3)n2)c1=O ZINC000026778426 211840843 /nfs/dbraw/zinc/84/08/43/211840843.db2.gz FLKATQYLVLTQOI-UHFFFAOYSA-N 0 0 389.751 2.900 50 5 GFBARN CN(CCOc1ccc(F)cc1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000095983433 211290484 /nfs/dbraw/zinc/29/04/84/211290484.db2.gz DOGNDWHSXFPORM-UHFFFAOYSA-N 0 0 376.369 2.890 50 5 GFBARN Cc1nc(CN2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cs1 ZINC000095451413 211242968 /nfs/dbraw/zinc/24/29/68/211242968.db2.gz ABJHRQNNRPWRRQ-UHFFFAOYSA-N 0 0 380.857 2.971 50 5 GFBARN CCCc1sc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1CC ZINC000089960423 211188362 /nfs/dbraw/zinc/18/83/62/211188362.db2.gz LOCXJTGBUBZXIY-YJBOKZPZSA-N 0 0 392.477 2.996 50 5 GFBARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000046539639 210837057 /nfs/dbraw/zinc/83/70/57/210837057.db2.gz AYUHIWLVPIMBLJ-UHFFFAOYSA-N 0 0 399.403 2.775 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020744786 210359058 /nfs/dbraw/zinc/35/90/58/210359058.db2.gz YFWGXKVCCVHPLD-OAHLLOKOSA-N 0 0 392.375 2.684 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000020028514 210313093 /nfs/dbraw/zinc/31/30/93/210313093.db2.gz JUCRZPHMSLGUMI-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN NC(=O)Nc1cccc2c1CCCN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000089814353 136175702 /nfs/dbraw/zinc/17/57/02/136175702.db2.gz CWJCKQGBAFKUDT-UHFFFAOYSA-N 0 0 383.408 2.867 50 5 GFBARN Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012538104 136200524 /nfs/dbraw/zinc/20/05/24/136200524.db2.gz QQQKLSWMEQCZGT-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006046375 570222949 /nfs/dbraw/zinc/22/29/49/570222949.db2.gz WXEBHWHYQHSBSV-KRWDZBQOSA-N 0 0 396.359 2.590 50 5 GFBARN CC(C)(C)OC(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273852 570226164 /nfs/dbraw/zinc/22/61/64/570226164.db2.gz FKDOPOXFPAOHMD-UHFFFAOYSA-N 0 0 375.429 2.891 50 5 GFBARN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(N)=O)cc1 ZINC000048324631 570235959 /nfs/dbraw/zinc/23/59/59/570235959.db2.gz FGDKDKXHOIJIJL-UHFFFAOYSA-N 0 0 382.420 2.573 50 5 GFBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247845213 570319784 /nfs/dbraw/zinc/31/97/84/570319784.db2.gz PLHQAKCOJSHTIE-SIIHOXLZSA-N 0 0 398.419 2.727 50 5 GFBARN COc1ccc(S(=O)(=O)Oc2ccc(CCC(C)=O)cc2)c([N+](=O)[O-])c1 ZINC000023392123 570322450 /nfs/dbraw/zinc/32/24/50/570322450.db2.gz KYDFHLWFLZCXLM-UHFFFAOYSA-N 0 0 379.390 2.893 50 5 GFBARN Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])n1 ZINC000023744526 570330937 /nfs/dbraw/zinc/33/09/37/570330937.db2.gz QAQCRZDFNOPOSF-UHFFFAOYSA-N 0 0 395.485 2.597 50 5 GFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004865527 570349808 /nfs/dbraw/zinc/34/98/08/570349808.db2.gz LYYVJTOHJCWURA-UHFFFAOYSA-N 0 0 389.433 2.634 50 5 GFBARN Cc1[nH]nc(SCC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000004872954 570351984 /nfs/dbraw/zinc/35/19/84/570351984.db2.gz BQXVLXQBNCTVED-UHFFFAOYSA-N 0 0 386.437 2.910 50 5 GFBARN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 ZINC000004977093 570388181 /nfs/dbraw/zinc/38/81/81/570388181.db2.gz NOUPHDRPAZGLTI-UHFFFAOYSA-N 0 0 385.405 2.827 50 5 GFBARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005053400 570406465 /nfs/dbraw/zinc/40/64/65/570406465.db2.gz KLJKXVIRUYQVIO-QMTHXVAHSA-N 0 0 375.406 2.807 50 5 GFBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc2c(c1)CCC2 ZINC000006465284 570441954 /nfs/dbraw/zinc/44/19/54/570441954.db2.gz JNOZOPBQYGRJBY-ZDUSSCGKSA-N 0 0 398.415 2.916 50 5 GFBARN CNc1ccc(S(=O)(=O)N(C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000006510449 570462334 /nfs/dbraw/zinc/46/23/34/570462334.db2.gz RIHVNZOUGYNCNO-UHFFFAOYSA-N 0 0 379.438 2.644 50 5 GFBARN COCCNC(=O)c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000025164700 570740074 /nfs/dbraw/zinc/74/00/74/570740074.db2.gz AFCKQZFSUOYPGR-UHFFFAOYSA-N 0 0 389.433 2.702 50 5 GFBARN COc1ccccc1NC(=O)Cc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000025392223 570749814 /nfs/dbraw/zinc/74/98/14/570749814.db2.gz KHGBLSICSCOUEP-UHFFFAOYSA-N 0 0 384.348 2.747 50 5 GFBARN COC(=O)Cn1c2c(cccc2F)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100877881 570778927 /nfs/dbraw/zinc/77/89/27/570778927.db2.gz GAOOVPJLMVAYRI-ZPHPHTNESA-N 0 0 389.364 2.664 50 5 GFBARN CCN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000007305637 570827949 /nfs/dbraw/zinc/82/79/49/570827949.db2.gz OHUNTUPUROJKTP-UHFFFAOYSA-N 0 0 392.433 2.885 50 5 GFBARN COc1cccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000012537977 570837097 /nfs/dbraw/zinc/83/70/97/570837097.db2.gz UJRMFRUZJJHUAT-UHFFFAOYSA-N 0 0 383.404 2.768 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000007470738 570847029 /nfs/dbraw/zinc/84/70/29/570847029.db2.gz RSNGVISGBYLPAZ-IBGZPJMESA-N 0 0 377.400 2.857 50 5 GFBARN COc1ccc(N2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 ZINC000004727971 570883164 /nfs/dbraw/zinc/88/31/64/570883164.db2.gz BICADBWHRDQTTK-SFHVURJKSA-N 0 0 394.387 2.600 50 5 GFBARN Cc1cccc(NC(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)n1 ZINC000020472131 570952049 /nfs/dbraw/zinc/95/20/49/570952049.db2.gz ZBKOENZFEJRJCB-UHFFFAOYSA-N 0 0 399.451 2.685 50 5 GFBARN O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000001427240 571001766 /nfs/dbraw/zinc/00/17/66/571001766.db2.gz HCHHFQGGCLGOIX-NSHDSACASA-N 0 0 381.296 2.871 50 5 GFBARN Cc1nn(C)c(NC[C@@H](O)COc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000058160133 654816132 /nfs/dbraw/zinc/81/61/32/654816132.db2.gz LJGPVDWEVDAJTJ-SECBINFHSA-N 0 0 375.212 2.795 50 5 GFBARN Cc1c(NC(=O)c2cccs2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000001428417 212243558 /nfs/dbraw/zinc/24/35/58/212243558.db2.gz AKBOWVSSUCJRNM-UHFFFAOYSA-N 0 0 375.406 2.689 50 5 GFBARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001122152 212219891 /nfs/dbraw/zinc/21/98/91/212219891.db2.gz IQJXZTJSBMIFCE-UHFFFAOYSA-N 0 0 383.813 2.653 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccc(Cl)cc1 ZINC000000826476 212187060 /nfs/dbraw/zinc/18/70/60/212187060.db2.gz LMZQZMHFTPGBHU-UHFFFAOYSA-N 0 0 387.621 2.832 50 5 GFBARN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097298216 212157017 /nfs/dbraw/zinc/15/70/17/212157017.db2.gz BSKKZHXAVCQDDH-XITLMJRVSA-N 0 0 377.466 2.672 50 5 GFBARN COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(C)=O ZINC000005172890 220839157 /nfs/dbraw/zinc/83/91/57/220839157.db2.gz SCXSMDVHNYEBIF-DHDCSXOGSA-N 0 0 382.328 2.873 50 5 GFBARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006176091 220922498 /nfs/dbraw/zinc/92/24/98/220922498.db2.gz GWDUQOQXYLAVSS-SSDOTTSWSA-N 0 0 375.332 2.861 50 5 GFBARN O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000010509215 221104311 /nfs/dbraw/zinc/10/43/11/221104311.db2.gz GXPZDTMRJJFTIQ-UHFFFAOYSA-N 0 0 382.351 3.000 50 5 GFBARN C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011384415 221115248 /nfs/dbraw/zinc/11/52/48/221115248.db2.gz ZDSQNOFRWDUFGK-NSHDSACASA-N 0 0 397.815 2.521 50 5 GFBARN COc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000012696045 221217931 /nfs/dbraw/zinc/21/79/31/221217931.db2.gz VCHBXMDHLVYSSF-AWEZNQCLSA-N 0 0 380.784 2.729 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2sccc2c1=O ZINC000012737876 221222189 /nfs/dbraw/zinc/22/21/89/221222189.db2.gz GXNORBFFTGJCJD-LBPRGKRZSA-N 0 0 386.433 2.976 50 5 GFBARN Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012886972 221241038 /nfs/dbraw/zinc/24/10/38/221241038.db2.gz TVNKMJDYFWHEPU-INIZCTEOSA-N 0 0 375.450 2.768 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000012980563 221252020 /nfs/dbraw/zinc/25/20/20/221252020.db2.gz XNNOGCIJXQDNTD-CMDGGOBGSA-N 0 0 383.379 2.732 50 5 GFBARN O=C1CCSc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2N1 ZINC000015732041 221342596 /nfs/dbraw/zinc/34/25/96/221342596.db2.gz ZWGFBMHFCGCJSQ-UHFFFAOYSA-N 0 0 379.419 2.830 50 5 GFBARN CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=S)NC2=O)[C@H]1c1ccccc1 ZINC000017056907 221376152 /nfs/dbraw/zinc/37/61/52/221376152.db2.gz MNDMEEBVJFUQSK-OAHLLOKOSA-N 0 0 396.428 2.686 50 5 GFBARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000017078420 221377943 /nfs/dbraw/zinc/37/79/43/221377943.db2.gz ZPIBNBKMJIJUFU-UHFFFAOYSA-N 0 0 384.392 2.720 50 5 GFBARN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040094044 132395356 /nfs/dbraw/zinc/39/53/56/132395356.db2.gz BNQJJGVFIXHPCM-HNNXBMFYSA-N 0 0 396.447 2.595 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000032901073 221745809 /nfs/dbraw/zinc/74/58/09/221745809.db2.gz SDXBUQDPRROPAU-LBPRGKRZSA-N 0 0 387.392 2.873 50 5 GFBARN COc1ccc(Cn2nnnc2SCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000040127797 221909868 /nfs/dbraw/zinc/90/98/68/221909868.db2.gz ILCAJRLSQOEKIE-UHFFFAOYSA-N 0 0 387.421 2.809 50 5 GFBARN Cc1nn(C)c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC000058163363 222042783 /nfs/dbraw/zinc/04/27/83/222042783.db2.gz ZEKRIPAGSMGDBT-UHFFFAOYSA-N 0 0 378.820 2.540 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102547342 222481453 /nfs/dbraw/zinc/48/14/53/222481453.db2.gz NRAHVXLVKQBDTI-TXEJJXNPSA-N 0 0 377.784 2.528 50 5 GFBARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004953266 551095406 /nfs/dbraw/zinc/09/54/06/551095406.db2.gz MVTFTEYJGKZOHE-UHFFFAOYSA-N 0 0 383.813 2.751 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000006053155 570229693 /nfs/dbraw/zinc/22/96/93/570229693.db2.gz IXAMQJJYXORUKY-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN Cc1sc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000024671225 570278614 /nfs/dbraw/zinc/27/86/14/570278614.db2.gz YPHLUJXNCHSGHE-AWEZNQCLSA-N 0 0 391.474 2.796 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@H]2C)cc1 ZINC000016264795 570321513 /nfs/dbraw/zinc/32/15/13/570321513.db2.gz HRSGZMAFMKMEGM-CQSZACIVSA-N 0 0 393.440 2.942 50 5 GFBARN CC1CCN(c2ccc(C(=O)OCC(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000006245786 570347768 /nfs/dbraw/zinc/34/77/68/570347768.db2.gz ZIFNTFNYHVFUSR-UHFFFAOYSA-N 0 0 377.441 2.903 50 5 GFBARN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000024928701 570356646 /nfs/dbraw/zinc/35/66/46/570356646.db2.gz OHALSTZYEUOGGV-UHFFFAOYSA-N 0 0 398.463 2.526 50 5 GFBARN Cc1cccc(COn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000005054752 570406827 /nfs/dbraw/zinc/40/68/27/570406827.db2.gz FHMWMNPQDPTZDA-UHFFFAOYSA-N 0 0 379.372 2.946 50 5 GFBARN Cc1nn(CC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] ZINC000005130127 570422587 /nfs/dbraw/zinc/42/25/87/570422587.db2.gz BIXVZQBEEKLGAY-UHFFFAOYSA-N 0 0 375.425 2.737 50 5 GFBARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006476687 570446941 /nfs/dbraw/zinc/44/69/41/570446941.db2.gz HNLSAVXZVOBZGU-QGZVFWFLSA-N 0 0 391.391 2.817 50 5 GFBARN CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000006557954 570476575 /nfs/dbraw/zinc/47/65/75/570476575.db2.gz RUOJBVXMIMXSSO-UHFFFAOYSA-N 0 0 377.784 2.763 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)c1 ZINC000005348048 570562304 /nfs/dbraw/zinc/56/23/04/570562304.db2.gz SVYLOCLNUZZBST-UHFFFAOYSA-N 0 0 390.417 2.503 50 5 GFBARN Cc1nnc(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)[nH]1 ZINC000040286509 570597544 /nfs/dbraw/zinc/59/75/44/570597544.db2.gz GGSHEEQCVTXXBP-UHFFFAOYSA-N 0 0 376.420 2.632 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1nnnn1-c1ccccc1 ZINC000004618783 570666694 /nfs/dbraw/zinc/66/66/94/570666694.db2.gz XDVYAMJVFQJEQR-UHFFFAOYSA-N 0 0 384.421 2.558 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000036397809 570682663 /nfs/dbraw/zinc/68/26/63/570682663.db2.gz UGMGHWFSEXSSSW-UHFFFAOYSA-N 0 0 390.440 2.546 50 5 GFBARN O=C(CSc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1)NCCc1ccccc1 ZINC000007018462 570742276 /nfs/dbraw/zinc/74/22/76/570742276.db2.gz VJTKMZRRXUAAAB-UHFFFAOYSA-N 0 0 383.433 2.831 50 5 GFBARN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000036705608 570793020 /nfs/dbraw/zinc/79/30/20/570793020.db2.gz WSJKCHLPCVKBGU-QMMMGPOBSA-N 0 0 387.377 2.709 50 5 GFBARN O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000034803602 570800617 /nfs/dbraw/zinc/80/06/17/570800617.db2.gz FBIIFAROPRIPSD-AZUAARDMSA-N 0 0 380.448 2.880 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000032771245 570804681 /nfs/dbraw/zinc/80/46/81/570804681.db2.gz WJVHTRPHOFUSGV-MRXNPFEDSA-N 0 0 380.397 2.805 50 5 GFBARN Cc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000032801742 570820259 /nfs/dbraw/zinc/82/02/59/570820259.db2.gz URAYENINDYVDSS-UHFFFAOYSA-N 0 0 389.371 2.682 50 5 GFBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000032808824 570823154 /nfs/dbraw/zinc/82/31/54/570823154.db2.gz SADRLCIQTPFKDM-UHFFFAOYSA-N 0 0 395.419 2.757 50 5 GFBARN CCOc1ccccc1OC[C@@H](O)CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004681026 570828624 /nfs/dbraw/zinc/82/86/24/570828624.db2.gz WYCUJRKSQFXOBK-INIZCTEOSA-N 0 0 388.420 2.814 50 5 GFBARN CCc1nc2ccccc2n1Cc1noc(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000097141561 570899632 /nfs/dbraw/zinc/89/96/32/570899632.db2.gz WNFMHLZIAQNTAI-UHFFFAOYSA-N 0 0 381.396 2.800 50 5 GFBARN COc1ccc([C@@H](NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C(C)C)cc1 ZINC000089801715 570915311 /nfs/dbraw/zinc/91/53/11/570915311.db2.gz SIHVAPMSJGMNIS-KRWDZBQOSA-N 0 0 393.827 2.932 50 5 GFBARN CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252515532 570983275 /nfs/dbraw/zinc/98/32/75/570983275.db2.gz LENFXYUXWSENLQ-LERXQTSPSA-N 0 0 390.408 2.841 50 5 GFBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000002945736 654438514 /nfs/dbraw/zinc/43/85/14/654438514.db2.gz QFTYIDYJJHJYBW-UHFFFAOYSA-N 0 0 377.403 2.860 50 5 GFBARN CCS(=O)(=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000010253164 212239815 /nfs/dbraw/zinc/23/98/15/212239815.db2.gz JHGJGWFPQZJDKI-UHFFFAOYSA-N 0 0 378.406 2.578 50 5 GFBARN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001116965 212218523 /nfs/dbraw/zinc/21/85/23/212218523.db2.gz LYSPSUXKZGSZBW-UHFFFAOYSA-N 0 0 377.422 2.553 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000000881474 212192528 /nfs/dbraw/zinc/19/25/28/212192528.db2.gz SLQUBHVPHKIPFA-UHFFFAOYSA-N 0 0 379.369 2.878 50 5 GFBARN CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000854184 212190024 /nfs/dbraw/zinc/19/00/24/212190024.db2.gz WFCWSXZXLPXQFX-UHFFFAOYSA-N 0 0 383.451 2.939 50 5 GFBARN CCOc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000850463 212188320 /nfs/dbraw/zinc/18/83/20/212188320.db2.gz SUJAPIQBDHTBJQ-UHFFFAOYSA-N 0 0 383.360 2.618 50 5 GFBARN CC(C)=CC(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000096947970 212155679 /nfs/dbraw/zinc/15/56/79/212155679.db2.gz KQFVYRARSBGBEF-GXDHUFHOSA-N 0 0 375.406 2.714 50 5 GFBARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000002659004 220551136 /nfs/dbraw/zinc/55/11/36/220551136.db2.gz JFVYVHDCZQHKFK-UHFFFAOYSA-N 0 0 388.767 2.605 50 5 GFBARN CCc1ccc(-n2nnnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002882975 220580067 /nfs/dbraw/zinc/58/00/67/220580067.db2.gz BSGJDNZNXSVPQF-UHFFFAOYSA-N 0 0 384.421 2.864 50 5 GFBARN COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1C ZINC000004515815 220724552 /nfs/dbraw/zinc/72/45/52/220724552.db2.gz GUUVVYVZEMNPSX-ZDUSSCGKSA-N 0 0 398.419 2.813 50 5 GFBARN COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005523346 220879591 /nfs/dbraw/zinc/87/95/91/220879591.db2.gz VSEFLEYUMVWPCO-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000005742979 220895731 /nfs/dbraw/zinc/89/57/31/220895731.db2.gz FSYNNNKSXPSBQQ-UHFFFAOYSA-N 0 0 380.360 2.879 50 5 GFBARN COc1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1Cl ZINC000005752807 220896371 /nfs/dbraw/zinc/89/63/71/220896371.db2.gz DQWVFYNCMGWACM-UHFFFAOYSA-N 0 0 388.767 2.605 50 5 GFBARN Cc1ccc(C(=O)NCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000007871568 221014543 /nfs/dbraw/zinc/01/45/43/221014543.db2.gz QHWDAJGFHPBTGX-UHFFFAOYSA-N 0 0 376.800 2.502 50 5 GFBARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008427976 221040335 /nfs/dbraw/zinc/04/03/35/221040335.db2.gz CHURHPZPDFXNCK-UHFFFAOYSA-N 0 0 376.735 2.680 50 5 GFBARN Cc1cc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000008404267 221041114 /nfs/dbraw/zinc/04/11/14/221041114.db2.gz UCQNHCCXVBYVAO-UHFFFAOYSA-N 0 0 380.404 2.934 50 5 GFBARN Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000008767932 221057394 /nfs/dbraw/zinc/05/73/94/221057394.db2.gz GUPCGRJHLVOHEV-IAGOWNOFSA-N 0 0 387.417 2.515 50 5 GFBARN O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000009575250 221084864 /nfs/dbraw/zinc/08/48/64/221084864.db2.gz YQHGRAPHTZRFDO-UHFFFAOYSA-N 0 0 378.388 2.674 50 5 GFBARN C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000012526576 221202906 /nfs/dbraw/zinc/20/29/06/221202906.db2.gz XTEIRZSFWMZJCR-AWEZNQCLSA-N 0 0 386.427 2.977 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000012374929 221186367 /nfs/dbraw/zinc/18/63/67/221186367.db2.gz JTRDRQMZRBOZSX-UHFFFAOYSA-N 0 0 380.320 2.740 50 5 GFBARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cccc1[N+](=O)[O-] ZINC000012786353 221231954 /nfs/dbraw/zinc/23/19/54/221231954.db2.gz CSFLFYSMHRJTSD-UHFFFAOYSA-N 0 0 375.406 2.596 50 5 GFBARN CCCc1nc(Sc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000012854540 221238203 /nfs/dbraw/zinc/23/82/03/221238203.db2.gz FHXDSKWJANWEAJ-UHFFFAOYSA-N 0 0 385.471 2.503 50 5 GFBARN Cc1cc(C)c(NC(=O)CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000012920598 221245815 /nfs/dbraw/zinc/24/58/15/221245815.db2.gz NFPZHHQISWSNJB-UHFFFAOYSA-N 0 0 381.392 2.579 50 5 GFBARN COc1ccc(CCCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000015358096 221335455 /nfs/dbraw/zinc/33/54/55/221335455.db2.gz HUWFTCIJMSEUOU-UHFFFAOYSA-N 0 0 394.449 2.865 50 5 GFBARN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000016629002 221365812 /nfs/dbraw/zinc/36/58/12/221365812.db2.gz FEKFYGDXKBISJF-ZDUSSCGKSA-N 0 0 391.811 2.959 50 5 GFBARN CC(=O)c1ccc(N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)c(F)c1 ZINC000052720800 132440110 /nfs/dbraw/zinc/44/01/10/132440110.db2.gz QZSTUYBHKLQAMX-UHFFFAOYSA-N 0 0 383.383 2.911 50 5 GFBARN O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022298770 136203693 /nfs/dbraw/zinc/20/36/93/136203693.db2.gz NRHOQEVMXOKBJF-GOSISDBHSA-N 0 0 391.855 2.810 50 5 GFBARN COc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1N1CCCC1=O ZINC000027811303 221661585 /nfs/dbraw/zinc/66/15/85/221661585.db2.gz XLONATVWGPARFV-UHFFFAOYSA-N 0 0 399.359 2.711 50 5 GFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O ZINC000032957709 221756284 /nfs/dbraw/zinc/75/62/84/221756284.db2.gz ZSQOASRYILGTMP-SFHVURJKSA-N 0 0 399.794 2.863 50 5 GFBARN COCCOc1ncccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000053184009 222008081 /nfs/dbraw/zinc/00/80/81/222008081.db2.gz VCVJXECRZJWSBT-UHFFFAOYSA-N 0 0 379.800 2.941 50 5 GFBARN COc1ccc(C(=O)N2CCN(c3ccsc3[N+](=O)[O-])CC2)cc1OC ZINC000058225164 222048041 /nfs/dbraw/zinc/04/80/41/222048041.db2.gz JQXSMYUIBFIHFT-UHFFFAOYSA-N 0 0 377.422 2.636 50 5 GFBARN COc1cc(C(=O)NCCCCc2nccs2)c([N+](=O)[O-])c(OC)c1OC ZINC000058305192 222049491 /nfs/dbraw/zinc/04/94/91/222049491.db2.gz SSOOYEXSDKDFHB-UHFFFAOYSA-N 0 0 395.437 2.830 50 5 GFBARN COc1ccc(-c2noc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000096294158 222410353 /nfs/dbraw/zinc/41/03/53/222410353.db2.gz OHEXLYFHHARWSC-UHFFFAOYSA-N 0 0 398.375 2.635 50 5 GFBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100863338 222463615 /nfs/dbraw/zinc/46/36/15/222463615.db2.gz AKWFPUDLYIEJIE-UHFFFAOYSA-N 0 0 388.427 2.662 50 5 GFBARN CC(C)C[C@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)C(=O)Nc1nccs1 ZINC000095455666 528574148 /nfs/dbraw/zinc/57/41/48/528574148.db2.gz GMKRKFSLHAZVPL-NSHDSACASA-N 0 0 391.457 2.881 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Br)o1 ZINC000004863775 551095114 /nfs/dbraw/zinc/09/51/14/551095114.db2.gz LHHSPWPEQPOYCK-UHFFFAOYSA-N 0 0 399.153 2.754 50 5 GFBARN O=Cc1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100097479 570270739 /nfs/dbraw/zinc/27/07/39/570270739.db2.gz SYKVVAFCUQASMS-UHFFFAOYSA-N 0 0 390.220 2.611 50 5 GFBARN CCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000655056 570281000 /nfs/dbraw/zinc/28/10/00/570281000.db2.gz JTRFAMAZFWZWDI-LFYBBSHMSA-N 0 0 375.406 2.545 50 5 GFBARN O=C(c1ccccc1OC(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000024865407 570318394 /nfs/dbraw/zinc/31/83/94/570318394.db2.gz YDRQHFUKTPJGHI-UHFFFAOYSA-N 0 0 378.335 2.554 50 5 GFBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000053468581 570323172 /nfs/dbraw/zinc/32/31/72/570323172.db2.gz XWNOWZQHLBGKOB-UHFFFAOYSA-N 0 0 392.415 2.916 50 5 GFBARN Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004854885 570348062 /nfs/dbraw/zinc/34/80/62/570348062.db2.gz HWYGEDAFVINHOD-MRXNPFEDSA-N 0 0 388.445 2.733 50 5 GFBARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004996645 570392278 /nfs/dbraw/zinc/39/22/78/570392278.db2.gz QRMDAVARAXFLKD-UHFFFAOYSA-N 0 0 384.421 2.918 50 5 GFBARN CC(C)Cc1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 ZINC000006364622 570401863 /nfs/dbraw/zinc/40/18/63/570401863.db2.gz AJYVAPCFWQYNBN-UHFFFAOYSA-N 0 0 391.453 2.734 50 5 GFBARN Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024135352 570433010 /nfs/dbraw/zinc/43/30/10/570433010.db2.gz RKCPESXCPFNMDX-UHFFFAOYSA-N 0 0 381.432 2.796 50 5 GFBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000006552964 570476067 /nfs/dbraw/zinc/47/60/67/570476067.db2.gz PYSAWVYOACXFNS-CYBMUJFWSA-N 0 0 377.441 2.903 50 5 GFBARN CC(=O)N(C)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000035946571 570482827 /nfs/dbraw/zinc/48/28/27/570482827.db2.gz SYWSPAFJNKPWKG-LJQANCHMSA-N 0 0 398.394 2.890 50 5 GFBARN Cc1ccc(S(=O)(=O)NCCCOC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005341943 570557254 /nfs/dbraw/zinc/55/72/54/570557254.db2.gz YCHLMNACRMXNND-UHFFFAOYSA-N 0 0 393.421 2.820 50 5 GFBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NC(C)(C)C)CC1 ZINC000005361198 570564121 /nfs/dbraw/zinc/56/41/21/570564121.db2.gz DWURMBLGMQGFGX-UHFFFAOYSA-N 0 0 377.441 2.903 50 5 GFBARN O=C(NC[C@@H]1CCCO1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005444874 570595424 /nfs/dbraw/zinc/59/54/24/570595424.db2.gz RITDKIGDDBYZOR-UZNZLNSGSA-N 0 0 395.415 2.661 50 5 GFBARN Cc1c(NC(=O)CSc2nnc(C(F)(F)F)n2C)cccc1[N+](=O)[O-] ZINC000006790271 570595944 /nfs/dbraw/zinc/59/59/44/570595944.db2.gz WFSGQZXFCLQZAG-UHFFFAOYSA-N 0 0 375.332 2.781 50 5 GFBARN CC(C)C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004593349 570624046 /nfs/dbraw/zinc/62/40/46/570624046.db2.gz YIVVYSMTJNUZPU-UHFFFAOYSA-N 0 0 390.318 2.826 50 5 GFBARN COc1ccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000005527283 570625334 /nfs/dbraw/zinc/62/53/34/570625334.db2.gz BQKWDVHKAYAERJ-UHFFFAOYSA-N 0 0 390.392 2.602 50 5 GFBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000006830823 570634274 /nfs/dbraw/zinc/63/42/74/570634274.db2.gz QYVWECXJQHQMGJ-BBRMVZONSA-N 0 0 393.440 2.505 50 5 GFBARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccn1)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000001131864 570756551 /nfs/dbraw/zinc/75/65/51/570756551.db2.gz PUXTWGXQYOOUKW-YTCBPCPPSA-N 0 0 397.390 2.867 50 5 GFBARN Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C ZINC000001161977 570759288 /nfs/dbraw/zinc/75/92/88/570759288.db2.gz JWFBLBAUDFEQQK-UHFFFAOYSA-N 0 0 377.422 2.616 50 5 GFBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)COc1cccc2ccccc21 ZINC000007137749 570804695 /nfs/dbraw/zinc/80/46/95/570804695.db2.gz LDQNJYOOKATSKH-HNNXBMFYSA-N 0 0 392.367 2.784 50 5 GFBARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000004686715 570831111 /nfs/dbraw/zinc/83/11/11/570831111.db2.gz ZUNOJGNCGZACEM-KRWDZBQOSA-N 0 0 392.433 2.876 50 5 GFBARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000007420295 570839333 /nfs/dbraw/zinc/83/93/33/570839333.db2.gz WZGACAAWVLZIPR-UHFFFAOYSA-N 0 0 396.407 2.685 50 5 GFBARN COc1cc2c(cc1OC)C(=CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC2 ZINC000102588562 570853054 /nfs/dbraw/zinc/85/30/54/570853054.db2.gz KBZFLYSJENILBF-LFIBNONCSA-N 0 0 390.417 2.530 50 5 GFBARN Nc1cc([O-])c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000170597833 570856064 /nfs/dbraw/zinc/85/60/64/570856064.db2.gz KNTOZTKUYCSREI-UHFFFAOYSA-N 0 0 390.465 2.586 50 5 GFBARN C[C@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005738986 570915921 /nfs/dbraw/zinc/91/59/21/570915921.db2.gz JRGBAZJJVPUTFL-NSHDSACASA-N 0 0 382.328 2.885 50 5 GFBARN O=C(COc1cccc([N+](=O)[O-])c1)OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000046857047 570935046 /nfs/dbraw/zinc/93/50/46/570935046.db2.gz RBFGXFNFMSHKTK-PBHICJAKSA-N 0 0 376.409 2.698 50 5 GFBARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000004140211 570961243 /nfs/dbraw/zinc/96/12/43/570961243.db2.gz MLPTXRWNBMJPJH-UHFFFAOYSA-N 0 0 377.422 2.541 50 5 GFBARN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004187727 654442869 /nfs/dbraw/zinc/44/28/69/654442869.db2.gz UFSMCMZZNQCOPF-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002078014 212263179 /nfs/dbraw/zinc/26/31/79/212263179.db2.gz RVQOJOZHDGYLAM-UHFFFAOYSA-N 0 0 386.360 2.748 50 5 GFBARN COc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000001170379 212224718 /nfs/dbraw/zinc/22/47/18/212224718.db2.gz FDOVRHNSZISZGR-UHFFFAOYSA-N 0 0 375.333 2.660 50 5 GFBARN COc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1[N+](=O)[O-] ZINC000001113234 212218658 /nfs/dbraw/zinc/21/86/58/212218658.db2.gz KLLYUXRPWCMTQC-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000001068828 212212073 /nfs/dbraw/zinc/21/20/73/212212073.db2.gz ACEQBHFVHBMCFK-QMMMGPOBSA-N 0 0 397.185 2.791 50 5 GFBARN CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000712513 212177115 /nfs/dbraw/zinc/17/71/15/212177115.db2.gz VIMPJTMAUGDIKT-INIZCTEOSA-N 0 0 396.399 2.936 50 5 GFBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000002794532 220566842 /nfs/dbraw/zinc/56/68/42/220566842.db2.gz CSQKUONLYBDICX-UHFFFAOYSA-N 0 0 394.387 2.807 50 5 GFBARN O=C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000002846335 220572510 /nfs/dbraw/zinc/57/25/10/220572510.db2.gz MOUNZWSFLIIZTH-UHFFFAOYSA-N 0 0 378.388 2.920 50 5 GFBARN O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1[N+](=O)[O-] ZINC000004377273 220712912 /nfs/dbraw/zinc/71/29/12/220712912.db2.gz YKPBKFSPTSXQKK-UHFFFAOYSA-N 0 0 385.357 2.850 50 5 GFBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 ZINC000006084516 220919295 /nfs/dbraw/zinc/91/92/95/220919295.db2.gz IINYYLVYNDZQFQ-UHFFFAOYSA-N 0 0 382.203 2.948 50 5 GFBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 ZINC000008424382 221040463 /nfs/dbraw/zinc/04/04/63/221040463.db2.gz OFBGWHIEFCBVDL-UHFFFAOYSA-N 0 0 384.308 2.526 50 5 GFBARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000008644628 221048907 /nfs/dbraw/zinc/04/89/07/221048907.db2.gz CLZBIEYHJLBVDU-HXUWFJFHSA-N 0 0 396.403 2.699 50 5 GFBARN O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1OCCc2ccccc21 ZINC000009054196 221069002 /nfs/dbraw/zinc/06/90/02/221069002.db2.gz ZZBQOKTYKRNRML-GOSISDBHSA-N 0 0 383.404 2.744 50 5 GFBARN CNc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000010900442 221107910 /nfs/dbraw/zinc/10/79/10/221107910.db2.gz MOZLVLVTDMALFU-UHFFFAOYSA-N 0 0 384.436 2.745 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000011183570 221112153 /nfs/dbraw/zinc/11/21/53/221112153.db2.gz YXNAFQNICHDDOO-UHFFFAOYSA-N 0 0 384.392 2.546 50 5 GFBARN Cn1cccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012527350 221203105 /nfs/dbraw/zinc/20/31/05/221203105.db2.gz TWJVBOIAXDPODT-UHFFFAOYSA-N 0 0 382.342 2.915 50 5 GFBARN O=C([C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000012557539 221206849 /nfs/dbraw/zinc/20/68/49/221206849.db2.gz PQAYFLUYOWHOPK-LBPRGKRZSA-N 0 0 387.358 2.689 50 5 GFBARN Cc1ccccc1CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000012797010 221233734 /nfs/dbraw/zinc/23/37/34/221233734.db2.gz DADVIEYOOPPJPH-UHFFFAOYSA-N 0 0 392.415 2.730 50 5 GFBARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000012891522 221242132 /nfs/dbraw/zinc/24/21/32/221242132.db2.gz YLIOABZMUBJCLQ-UHFFFAOYSA-N 0 0 389.839 2.956 50 5 GFBARN CC(=O)N1c2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C[C@@H]1C ZINC000012968063 221249987 /nfs/dbraw/zinc/24/99/87/221249987.db2.gz HFUYGJJJUGGKPZ-NSHDSACASA-N 0 0 376.390 2.660 50 5 GFBARN CSc1nc2nc(C)c(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)n2n1 ZINC000012972313 221250610 /nfs/dbraw/zinc/25/06/10/221250610.db2.gz JNAIJUJTSHQCSP-UHFFFAOYSA-N 0 0 386.437 2.861 50 5 GFBARN CN(C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915130 221245837 /nfs/dbraw/zinc/24/58/37/221245837.db2.gz ORRMOVUDGFRBKD-INIZCTEOSA-N 0 0 396.447 2.908 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2ccco2)n1 ZINC000014152350 221300671 /nfs/dbraw/zinc/30/06/71/221300671.db2.gz JDKYTIZGIYHKLH-UHFFFAOYSA-N 0 0 375.366 2.712 50 5 GFBARN Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000063121411 136156293 /nfs/dbraw/zinc/15/62/93/136156293.db2.gz URVQPDFFSDQQSD-UHFFFAOYSA-N 0 0 393.440 2.862 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012532270 136200455 /nfs/dbraw/zinc/20/04/55/136200455.db2.gz QLOMVRXKOHKVAL-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN COC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc([N+](=O)[O-])c1 ZINC000016279187 136201925 /nfs/dbraw/zinc/20/19/25/136201925.db2.gz SGHFYOQUGLNRPI-UHFFFAOYSA-N 0 0 383.404 2.652 50 5 GFBARN C[C@@H](OC(=O)c1cncn1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021433675 221531289 /nfs/dbraw/zinc/53/12/89/221531289.db2.gz QQCATOQPEWYLMZ-CYBMUJFWSA-N 0 0 380.360 2.965 50 5 GFBARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000032373612 221721058 /nfs/dbraw/zinc/72/10/58/221721058.db2.gz IQAFPJNOBBBEFJ-CQSZACIVSA-N 0 0 379.800 2.645 50 5 GFBARN Cc1nn2c(SCC(=O)Nc3ccccc3)nc3ccccc3c2nc1=O ZINC000058134072 222041331 /nfs/dbraw/zinc/04/13/31/222041331.db2.gz NXVWWQNIIOWBEI-UHFFFAOYSA-N 0 0 377.429 2.677 50 5 GFBARN O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000062581403 222065948 /nfs/dbraw/zinc/06/59/48/222065948.db2.gz UXRXRWYKZSWLSP-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN O=[N+]([O-])c1cc(-c2nn3c(CN4CCCCC4)nnc3s2)cc([N+](=O)[O-])c1 ZINC000071260525 222178845 /nfs/dbraw/zinc/17/88/45/222178845.db2.gz KPCPVWICJRGNJX-UHFFFAOYSA-N 0 0 389.397 2.655 50 5 GFBARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000001132190 518188539 /nfs/dbraw/zinc/18/85/39/518188539.db2.gz CPBJBXUAFDBMSO-UHFFFAOYSA-N 0 0 389.433 2.940 50 5 GFBARN Cc1[nH]nc(SCC(=O)Nc2cc(Br)ccc2O)c1[N+](=O)[O-] ZINC000004872887 551095016 /nfs/dbraw/zinc/09/50/16/551095016.db2.gz XUXODCFYPHRYDE-UHFFFAOYSA-N 0 0 387.215 2.825 50 5 GFBARN COc1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 ZINC000005031825 551096042 /nfs/dbraw/zinc/09/60/42/551096042.db2.gz WXFZTSIXWZXQGC-ZDUSSCGKSA-N 0 0 377.180 2.669 50 5 GFBARN COc1ccc(CCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000048305719 570232463 /nfs/dbraw/zinc/23/24/63/570232463.db2.gz BMKGQOUOOQDZPX-UHFFFAOYSA-N 0 0 399.447 2.893 50 5 GFBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808032 570248825 /nfs/dbraw/zinc/24/88/25/570248825.db2.gz AXZHCJRDERESNG-JLZZUVOBSA-N 0 0 376.409 2.767 50 5 GFBARN O=C(c1cccs1)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000024668310 570278071 /nfs/dbraw/zinc/27/80/71/570278071.db2.gz HEKKDPAPFYROAG-UHFFFAOYSA-N 0 0 399.432 2.664 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000012913418 570291835 /nfs/dbraw/zinc/29/18/35/570291835.db2.gz ZAVJKZKHDQHZOK-UHFFFAOYSA-N 0 0 383.360 2.761 50 5 GFBARN CC1=C[C@](O)(C(F)(F)C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000004836935 570311350 /nfs/dbraw/zinc/31/13/50/570311350.db2.gz SYEPHZILOVPYAG-LBPRGKRZSA-N 0 0 381.257 2.632 50 5 GFBARN COc1ccccc1CNc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-] ZINC000004923285 570370279 /nfs/dbraw/zinc/37/02/79/570370279.db2.gz OMZTUEGKINPLHO-UHFFFAOYSA-N 0 0 375.772 2.688 50 5 GFBARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006524375 570465489 /nfs/dbraw/zinc/46/54/89/570465489.db2.gz WGDTVOJXKJFYLK-VBEHJTROSA-N 0 0 397.387 2.642 50 5 GFBARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000027026115 570496187 /nfs/dbraw/zinc/49/61/87/570496187.db2.gz BKOFZMXXKPXSLS-NVNXTCNLSA-N 0 0 399.384 2.961 50 5 GFBARN COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006623552 570507199 /nfs/dbraw/zinc/50/71/99/570507199.db2.gz LVWPAUSPVAKIDH-CYBMUJFWSA-N 0 0 379.438 2.520 50 5 GFBARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000005213362 570511883 /nfs/dbraw/zinc/51/18/83/570511883.db2.gz UQEUUBOMRYXZRW-UHFFFAOYSA-N 0 0 376.373 2.519 50 5 GFBARN Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O ZINC000005329569 570554773 /nfs/dbraw/zinc/55/47/73/570554773.db2.gz MIMMXQDYDVVEPC-UHFFFAOYSA-N 0 0 375.406 2.831 50 5 GFBARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004322298 570559062 /nfs/dbraw/zinc/55/90/62/570559062.db2.gz SFZTWUJHKWAZMW-UHFFFAOYSA-N 0 0 377.422 2.878 50 5 GFBARN CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169681803 570602572 /nfs/dbraw/zinc/60/25/72/570602572.db2.gz KOXNEMYBQQKDFD-ICSRJNTNSA-N 0 0 380.448 2.598 50 5 GFBARN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(=O)[nH]c2ccccc21 ZINC000005642551 570678090 /nfs/dbraw/zinc/67/80/90/570678090.db2.gz NJPMZDXYLBRXPF-UHFFFAOYSA-N 0 0 392.327 2.843 50 5 GFBARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000032796334 570818261 /nfs/dbraw/zinc/81/82/61/570818261.db2.gz UZEVBCSZDXENAU-CYBMUJFWSA-N 0 0 399.403 2.912 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000004688049 570828231 /nfs/dbraw/zinc/82/82/31/570828231.db2.gz GKHHEHLKPXTSBP-UHFFFAOYSA-N 0 0 399.831 2.898 50 5 GFBARN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000005702343 570828166 /nfs/dbraw/zinc/82/81/66/570828166.db2.gz WFEOGCIIYFJSJH-SNVBAGLBSA-N 0 0 390.323 2.705 50 5 GFBARN Cc1ccn([C@@H](C(=O)c2cccc([N+](=O)[O-])c2)C(=O)N2CCC(C)CC2)c(=O)c1 ZINC000004682134 570829916 /nfs/dbraw/zinc/82/99/16/570829916.db2.gz SWCPAIMJGYEKLD-IBGZPJMESA-N 0 0 397.431 2.747 50 5 GFBARN Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1C ZINC000004515964 570831499 /nfs/dbraw/zinc/83/14/99/570831499.db2.gz QPLWOEJFMZIWFA-BFUOFWGJSA-N 0 0 388.424 2.651 50 5 GFBARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007363315 570834423 /nfs/dbraw/zinc/83/44/23/570834423.db2.gz AAIBHJAHAXUPAB-UHFFFAOYSA-N 0 0 389.389 2.934 50 5 GFBARN Cc1sc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000032827684 570840852 /nfs/dbraw/zinc/84/08/52/570840852.db2.gz LZKCPNJJWAVULG-UHFFFAOYSA-N 0 0 388.493 2.825 50 5 GFBARN O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004543537 570854128 /nfs/dbraw/zinc/85/41/28/570854128.db2.gz KYEZSBYXRVFNPH-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=C(COc1ccc(F)cc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024561509 570892571 /nfs/dbraw/zinc/89/25/71/570892571.db2.gz LWMXVFOJSKPYAO-UHFFFAOYSA-N 0 0 377.347 2.601 50 5 GFBARN Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000023106201 570904908 /nfs/dbraw/zinc/90/49/08/570904908.db2.gz JSONZXUGSRLVRA-LJQANCHMSA-N 0 0 387.411 2.846 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000025836805 570975153 /nfs/dbraw/zinc/97/51/53/570975153.db2.gz UVELSCZCOAQLTQ-LLVKDONJSA-N 0 0 383.326 2.995 50 5 GFBARN O=C(NCc1ccc(N2CCCC2)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000045882203 570998156 /nfs/dbraw/zinc/99/81/56/570998156.db2.gz JOOJAUHDPSNXJS-UHFFFAOYSA-N 0 0 392.419 2.706 50 5 GFBARN Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000225461990 222678030 /nfs/dbraw/zinc/67/80/30/222678030.db2.gz BVGNGNPXHPBRPS-OCCSQVGLSA-N 0 0 392.456 2.861 50 5 GFBARN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000001220671 212230667 /nfs/dbraw/zinc/23/06/67/212230667.db2.gz GYCKNZYHCBQMFM-UHFFFAOYSA-N 0 0 382.420 2.824 50 5 GFBARN Cc1cc2nc3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n3c2cc1C ZINC000000714512 212176772 /nfs/dbraw/zinc/17/67/72/212176772.db2.gz LHHFUSIGJRVHQZ-FMQZQXMHSA-N 0 0 395.396 2.711 50 5 GFBARN COc1ccc2cc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000004032884 220671830 /nfs/dbraw/zinc/67/18/30/220671830.db2.gz ZUIRFHDOQSPULJ-UHFFFAOYSA-N 0 0 381.388 2.726 50 5 GFBARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c2nc3ccccc3n21 ZINC000004246561 220696786 /nfs/dbraw/zinc/69/67/86/220696786.db2.gz JAPXAHRMOYGSCO-LLVKDONJSA-N 0 0 379.445 2.972 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000004496304 220722354 /nfs/dbraw/zinc/72/23/54/220722354.db2.gz AQPBRCJCZXDJAR-UHFFFAOYSA-N 0 0 382.369 2.545 50 5 GFBARN Cc1cccc(COn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000005054757 220821027 /nfs/dbraw/zinc/82/10/27/220821027.db2.gz MOATZWMWEBJINS-UHFFFAOYSA-N 0 0 379.372 2.946 50 5 GFBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000006011989 220912793 /nfs/dbraw/zinc/91/27/93/220912793.db2.gz CSXNFTNBBODSIY-UHFFFAOYSA-N 0 0 390.735 2.619 50 5 GFBARN CCOC(=O)c1s/c(=N\C(=O)/C=C\c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000006327473 220929802 /nfs/dbraw/zinc/92/98/02/220929802.db2.gz ZRJDHIAZSOHVMG-NQGWVOIHSA-N 0 0 375.406 2.621 50 5 GFBARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC000007779918 221011458 /nfs/dbraw/zinc/01/14/58/221011458.db2.gz GZSPUKXBYMJOCM-UHFFFAOYSA-N 0 0 397.339 2.815 50 5 GFBARN CCN(CC)S(=O)(=O)c1ccc(NC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000007976644 221017743 /nfs/dbraw/zinc/01/77/43/221017743.db2.gz MLBVPCPAFXDKKU-SFHVURJKSA-N 0 0 393.465 2.771 50 5 GFBARN COc1ccccc1N1CCN(C(=O)COc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000008506233 221042866 /nfs/dbraw/zinc/04/28/66/221042866.db2.gz LZPYVHOYEHJXPO-UHFFFAOYSA-N 0 0 385.420 2.639 50 5 GFBARN CC(C)N(CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000008706384 221050766 /nfs/dbraw/zinc/05/07/66/221050766.db2.gz ISBRJTQECRBALF-UHFFFAOYSA-N 0 0 385.399 2.769 50 5 GFBARN COC(=O)c1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008768529 221056591 /nfs/dbraw/zinc/05/65/91/221056591.db2.gz KXIGXZOCZHMPCX-UHFFFAOYSA-N 0 0 375.293 2.551 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000009691045 221089698 /nfs/dbraw/zinc/08/96/98/221089698.db2.gz JOJZEDMZHUIMCE-UHFFFAOYSA-N 0 0 376.796 2.921 50 5 GFBARN O=C(CSC1=NCCS1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000011852405 221132742 /nfs/dbraw/zinc/13/27/42/221132742.db2.gz JZTYXYZTAQESEV-UHFFFAOYSA-N 0 0 381.464 2.888 50 5 GFBARN Cc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000011325988 221115295 /nfs/dbraw/zinc/11/52/95/221115295.db2.gz DOFMCVLEIJUYHI-UHFFFAOYSA-N 0 0 382.420 2.872 50 5 GFBARN C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000011437663 221115504 /nfs/dbraw/zinc/11/55/04/221115504.db2.gz BHXRWGMCHMVKSM-LBPRGKRZSA-N 0 0 379.372 2.559 50 5 GFBARN CC[C@H]1CN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CCO1 ZINC000012644586 221216870 /nfs/dbraw/zinc/21/68/70/221216870.db2.gz OFKGHLMWYMYOCU-CABCVRRESA-N 0 0 397.497 2.631 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000012653801 221217368 /nfs/dbraw/zinc/21/73/68/221217368.db2.gz MMLOWXRFIQVLKL-UHFFFAOYSA-N 0 0 394.796 2.777 50 5 GFBARN NC(=O)NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 ZINC000013082503 221260120 /nfs/dbraw/zinc/26/01/20/221260120.db2.gz RBZHSIIAOKVSGZ-UHFFFAOYSA-N 0 0 397.416 2.735 50 5 GFBARN CCCS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000013608794 221277274 /nfs/dbraw/zinc/27/72/74/221277274.db2.gz BZHCEKZZCCNYIC-UHFFFAOYSA-N 0 0 390.830 2.536 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000015629624 221337979 /nfs/dbraw/zinc/33/79/79/221337979.db2.gz VOHFUFOYWURMJZ-UHFFFAOYSA-N 0 0 378.344 2.998 50 5 GFBARN CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 ZINC000017824216 221384674 /nfs/dbraw/zinc/38/46/74/221384674.db2.gz RQSGRSURZIQZCI-SNVBAGLBSA-N 0 0 392.437 2.759 50 5 GFBARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098652 132395621 /nfs/dbraw/zinc/39/56/21/132395621.db2.gz ZBYQRGKIMKPHCV-UHFFFAOYSA-N 0 0 391.815 2.802 50 5 GFBARN CN1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2[N+](=O)[O-])CC1 ZINC000008726344 136195524 /nfs/dbraw/zinc/19/55/24/136195524.db2.gz AJICTRMDCBGDKJ-UHFFFAOYSA-N 0 0 380.448 2.545 50 5 GFBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC(F)(F)F ZINC000044196279 221951177 /nfs/dbraw/zinc/95/11/77/221951177.db2.gz BPZQPOOGMLMXRE-NSHDSACASA-N 0 0 381.738 2.681 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000056138071 222025607 /nfs/dbraw/zinc/02/56/07/222025607.db2.gz MWSMAGMVFDQFNZ-IRXDYDNUSA-N 0 0 380.397 2.933 50 5 GFBARN CN(C)CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000057294296 222029825 /nfs/dbraw/zinc/02/98/25/222029825.db2.gz MFGPZRLQWBMFCR-UHFFFAOYSA-N 0 0 381.024 2.620 50 5 GFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000058303951 222049619 /nfs/dbraw/zinc/04/96/19/222049619.db2.gz PNUJSQINELGSBW-UHFFFAOYSA-N 0 0 380.404 2.644 50 5 GFBARN O=C([C@H]1CC(=O)N(CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000059253259 222056410 /nfs/dbraw/zinc/05/64/10/222056410.db2.gz OFFVZLHTOCZNSN-AWEZNQCLSA-N 0 0 399.369 2.744 50 5 GFBARN CC(=O)N1N=C(c2cncc(Br)c2)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000064819711 222084096 /nfs/dbraw/zinc/08/40/96/222084096.db2.gz YWDXHKIRQVBUTD-OAHLLOKOSA-N 0 0 391.181 2.991 50 5 GFBARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O ZINC000238899595 523724721 /nfs/dbraw/zinc/72/47/21/523724721.db2.gz GTFRELCRDZVNGO-BZUAXINKSA-N 0 0 387.779 2.725 50 5 GFBARN COC[C@@H]1CCCN(c2nc(N3CCC[C@H](COC)C3)ccc2[N+](=O)[O-])C1 ZINC000221941689 536765537 /nfs/dbraw/zinc/76/55/37/536765537.db2.gz PQOLFEDGBNQOJT-JKSUJKDBSA-N 0 0 378.473 2.715 50 5 GFBARN CN(CC(=O)NC1CC1)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000032803859 551131927 /nfs/dbraw/zinc/13/19/27/551131927.db2.gz WXIWTSKNGCVVLV-UHFFFAOYSA-N 0 0 379.214 2.620 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1cccc[n+]1[O-] ZINC000006049351 570224228 /nfs/dbraw/zinc/22/42/28/570224228.db2.gz CIWLBBPAKCFMFX-UHFFFAOYSA-N 0 0 395.462 2.554 50 5 GFBARN O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000048278768 570230733 /nfs/dbraw/zinc/23/07/33/570230733.db2.gz LJZXBAXOJIVWMK-UHFFFAOYSA-N 0 0 390.359 2.761 50 5 GFBARN CC(C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O ZINC000100630674 570273874 /nfs/dbraw/zinc/27/38/74/570273874.db2.gz RKKHPQMUGYMTNK-UHFFFAOYSA-N 0 0 379.464 2.772 50 5 GFBARN COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004834054 570306318 /nfs/dbraw/zinc/30/63/18/570306318.db2.gz ICUCYJPFBNVXFE-UHFFFAOYSA-N 0 0 386.360 2.748 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000024833971 570311019 /nfs/dbraw/zinc/31/10/19/570311019.db2.gz BLNHISBCJLFUGZ-SQUSKLHYSA-N 0 0 381.432 2.798 50 5 GFBARN Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004854905 570348074 /nfs/dbraw/zinc/34/80/74/570348074.db2.gz HWYGEDAFVINHOD-INIZCTEOSA-N 0 0 388.445 2.733 50 5 GFBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000005013352 570395901 /nfs/dbraw/zinc/39/59/01/570395901.db2.gz IZDQQARUKRACAW-UHFFFAOYSA-N 0 0 399.375 2.586 50 5 GFBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 ZINC000005161783 570463080 /nfs/dbraw/zinc/46/30/80/570463080.db2.gz JYSUFUBSLMONOK-SAEKGINCSA-N 0 0 394.387 2.916 50 5 GFBARN COc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1NC(C)=O ZINC000024213902 570479486 /nfs/dbraw/zinc/47/94/86/570479486.db2.gz LBNNGPFJVBHPAI-UHFFFAOYSA-N 0 0 379.394 2.709 50 5 GFBARN CCC(=O)N(C)CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccco1 ZINC000035945930 570482146 /nfs/dbraw/zinc/48/21/46/570482146.db2.gz VVRBCGCMEAFVIU-MRXNPFEDSA-N 0 0 384.392 2.734 50 5 GFBARN COCCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000038829179 570515623 /nfs/dbraw/zinc/51/56/23/570515623.db2.gz FBQAPIUJSSRGJV-UHFFFAOYSA-N 0 0 375.428 2.601 50 5 GFBARN Cc1cccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002620647 570591331 /nfs/dbraw/zinc/59/13/31/570591331.db2.gz IIQOMQCRXKCFEQ-UHFFFAOYSA-N 0 0 388.384 2.749 50 5 GFBARN O=C(NCCCN1CCCC1=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000006788122 570593809 /nfs/dbraw/zinc/59/38/09/570593809.db2.gz AZRMPAXUCXYHOZ-UHFFFAOYSA-N 0 0 396.447 2.949 50 5 GFBARN Cc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c([N+](=O)[O-])c1 ZINC000006788343 570593949 /nfs/dbraw/zinc/59/39/49/570593949.db2.gz ZJDJMQOCPFLOIM-UHFFFAOYSA-N 0 0 375.332 2.781 50 5 GFBARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000005450776 570599076 /nfs/dbraw/zinc/59/90/76/570599076.db2.gz DIJDUTMGKMBABV-GFCCVEGCSA-N 0 0 392.433 2.920 50 5 GFBARN Cc1nnc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)[nH]1 ZINC000040398743 570602382 /nfs/dbraw/zinc/60/23/82/570602382.db2.gz XXEGOLNURXNUIC-UHFFFAOYSA-N 0 0 398.426 2.733 50 5 GFBARN O=c1c2cc3c(ccn(C[C@@H]4CCCO4)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398781 570602549 /nfs/dbraw/zinc/60/25/49/570602549.db2.gz RAKNBICRXAROJC-KRWDZBQOSA-N 0 0 387.439 2.939 50 5 GFBARN Cn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000005486667 570610474 /nfs/dbraw/zinc/61/04/74/570610474.db2.gz PEAZPSCVKYAYQZ-UHFFFAOYSA-N 0 0 382.395 2.912 50 5 GFBARN COc1ccccc1N1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000005516514 570624051 /nfs/dbraw/zinc/62/40/51/570624051.db2.gz UKPRVTHCBRHMRJ-UHFFFAOYSA-N 0 0 394.431 2.782 50 5 GFBARN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000033028102 570665602 /nfs/dbraw/zinc/66/56/02/570665602.db2.gz BANLDRYHTIITLV-INIZCTEOSA-N 0 0 383.404 2.527 50 5 GFBARN COc1ccc(CN2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000025198866 570740583 /nfs/dbraw/zinc/74/05/83/570740583.db2.gz MTMPLZAAZNDGFQ-UHFFFAOYSA-N 0 0 387.411 2.629 50 5 GFBARN O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCO2 ZINC000052537677 570752738 /nfs/dbraw/zinc/75/27/38/570752738.db2.gz OBJJDVZVLHYNCQ-UHFFFAOYSA-N 0 0 383.404 2.719 50 5 GFBARN CCOC(=O)c1s/c(=N\C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000100837634 570776351 /nfs/dbraw/zinc/77/63/51/570776351.db2.gz WCAVNLCDXYUORL-QNTJTQIPSA-N 0 0 375.406 2.621 50 5 GFBARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000007138395 570804825 /nfs/dbraw/zinc/80/48/25/570804825.db2.gz CXDLFUUDHXEOID-UHFFFAOYSA-N 0 0 378.406 2.511 50 5 GFBARN NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007157620 570806011 /nfs/dbraw/zinc/80/60/11/570806011.db2.gz NNYRPXHRYZWZRR-UHFFFAOYSA-N 0 0 392.755 2.534 50 5 GFBARN C[C@@H](NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)OCCO2 ZINC000025612086 570808688 /nfs/dbraw/zinc/80/86/88/570808688.db2.gz VRAACQAAJANCHR-CYBMUJFWSA-N 0 0 383.404 2.606 50 5 GFBARN O=C(COc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004685344 570828186 /nfs/dbraw/zinc/82/81/86/570828186.db2.gz MMEFWTCMQKLLCA-UHFFFAOYSA-N 0 0 375.812 2.976 50 5 GFBARN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000004543907 570852704 /nfs/dbraw/zinc/85/27/04/570852704.db2.gz RHHYEMZKZPTFFZ-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000032860182 570860689 /nfs/dbraw/zinc/86/06/89/570860689.db2.gz ZTIDXRRYTISXNF-WMLDXEAASA-N 0 0 380.360 2.791 50 5 GFBARN CN1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 ZINC000004560284 570864319 /nfs/dbraw/zinc/86/43/19/570864319.db2.gz CSMOUOFWGUHAJF-UHFFFAOYSA-N 0 0 398.507 2.901 50 5 GFBARN Cc1cc(Br)ccc1NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004582448 570910709 /nfs/dbraw/zinc/91/07/09/570910709.db2.gz MTCDZZVUGFRUKV-UHFFFAOYSA-N 0 0 386.227 2.971 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004066363 570927106 /nfs/dbraw/zinc/92/71/06/570927106.db2.gz ARVTWDLGBPMVMK-GOSISDBHSA-N 0 0 397.387 2.845 50 5 GFBARN CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C ZINC000170646218 570983109 /nfs/dbraw/zinc/98/31/09/570983109.db2.gz IUJNQMFUPPEYIB-PXNSSMCTSA-N 0 0 391.468 2.707 50 5 GFBARN COc1ccc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1[N+](=O)[O-] ZINC000012778654 571031917 /nfs/dbraw/zinc/03/19/17/571031917.db2.gz WDIDMTGFZQRWTJ-UHFFFAOYSA-N 0 0 380.364 2.844 50 5 GFBARN Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc([N+](=O)[O-])c1F ZINC000089587232 230956364 /nfs/dbraw/zinc/95/63/64/230956364.db2.gz WDKVHGCIKOWIOK-UHFFFAOYSA-N 0 0 393.396 2.970 50 5 GFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCCCN1C(=O)c2ccccc2C1=O ZINC000001776108 212255931 /nfs/dbraw/zinc/25/59/31/212255931.db2.gz AQFNJAUOMIKGEK-MDZDMXLPSA-N 0 0 380.356 2.838 50 5 GFBARN CCOCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001745377 212255142 /nfs/dbraw/zinc/25/51/42/212255142.db2.gz JAYNFDZGKCKCSR-UHFFFAOYSA-N 0 0 388.376 2.806 50 5 GFBARN COc1ccc(/C=C2\N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000001514025 212249109 /nfs/dbraw/zinc/24/91/09/212249109.db2.gz NMZOYJRPZBOEQR-ZSOIEALJSA-N 0 0 384.344 2.965 50 5 GFBARN CC[C@@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754953 212179340 /nfs/dbraw/zinc/17/93/40/212179340.db2.gz QBSAUYUTRCTFEZ-ACJLOTCBSA-N 0 0 395.415 2.717 50 5 GFBARN COc1cc(C=C2NC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000758000 212179274 /nfs/dbraw/zinc/17/92/74/212179274.db2.gz OSMWQQUGIICBAG-RIYZIHGNSA-N 0 0 385.401 2.939 50 5 GFBARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000000670598 212172467 /nfs/dbraw/zinc/17/24/67/212172467.db2.gz UBPDUJMIBJJCFX-UHFFFAOYSA-N 0 0 391.449 2.504 50 5 GFBARN C/C=C/C=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000096947969 212156318 /nfs/dbraw/zinc/15/63/18/212156318.db2.gz YXEXDIHNZWFXRW-PBUAREAYSA-N 0 0 387.417 2.880 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004064195 220677015 /nfs/dbraw/zinc/67/70/15/220677015.db2.gz PKFNJNCJLRMGBK-UHFFFAOYSA-N 0 0 380.744 2.712 50 5 GFBARN COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC ZINC000004644366 220740720 /nfs/dbraw/zinc/74/07/20/220740720.db2.gz HPHNLWCDGIKSJR-VGOFMYFVSA-N 0 0 384.344 2.965 50 5 GFBARN COc1ccc2cc3c(N)nn(C(=O)Cc4ccc([N+](=O)[O-])cc4)c3nc2c1 ZINC000004939940 220795386 /nfs/dbraw/zinc/79/53/86/220795386.db2.gz QZGUGXUAWFGMRH-UHFFFAOYSA-N 0 0 377.360 2.966 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000005740758 220896736 /nfs/dbraw/zinc/89/67/36/220896736.db2.gz VGGVZJWRXYIXQD-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000008767925 221056415 /nfs/dbraw/zinc/05/64/15/221056415.db2.gz GUPCGRJHLVOHEV-SJORKVTESA-N 0 0 387.417 2.515 50 5 GFBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000009387158 221079147 /nfs/dbraw/zinc/07/91/47/221079147.db2.gz ZXKRAMWCHRPCST-UHFFFAOYSA-N 0 0 382.825 2.924 50 5 GFBARN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000010532065 221104981 /nfs/dbraw/zinc/10/49/81/221104981.db2.gz PSPKFNKGVWRFKR-GHMZBOCLSA-N 0 0 375.356 2.739 50 5 GFBARN CCOc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000012551572 221204516 /nfs/dbraw/zinc/20/45/16/221204516.db2.gz HIFNGVPGJMQERT-TXEJJXNPSA-N 0 0 388.428 2.723 50 5 GFBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2sccc2c1=O ZINC000012737874 221222825 /nfs/dbraw/zinc/22/28/25/221222825.db2.gz GXNORBFFTGJCJD-GFCCVEGCSA-N 0 0 386.433 2.976 50 5 GFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020089 221257972 /nfs/dbraw/zinc/25/79/72/221257972.db2.gz GGBNBZCXVUFJKS-ZDUSSCGKSA-N 0 0 398.398 2.946 50 5 GFBARN C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014180302 221302457 /nfs/dbraw/zinc/30/24/57/221302457.db2.gz BKNOQBNUEYQBJL-NSHDSACASA-N 0 0 381.344 2.620 50 5 GFBARN CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000015617499 221337838 /nfs/dbraw/zinc/33/78/38/221337838.db2.gz NSGHQWVVPNCQFL-UHFFFAOYSA-N 0 0 382.825 2.624 50 5 GFBARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000006251053 533601022 /nfs/dbraw/zinc/60/10/22/533601022.db2.gz ORWKTPDZCOHFKR-UHFFFAOYSA-N 0 0 398.419 2.888 50 5 GFBARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040141967 132399839 /nfs/dbraw/zinc/39/98/39/132399839.db2.gz RHAWYRCNHJBBGW-OAHLLOKOSA-N 0 0 386.477 2.960 50 5 GFBARN C[C@H]1CCCCN1C(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000060935325 136155984 /nfs/dbraw/zinc/15/59/84/136155984.db2.gz CXRAOWMGVFQDFX-AWEZNQCLSA-N 0 0 380.876 2.771 50 5 GFBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000005800031 136196778 /nfs/dbraw/zinc/19/67/78/136196778.db2.gz VPVDUWFLGUQVLN-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN O=C(NCC1(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022521719 136204041 /nfs/dbraw/zinc/20/40/41/136204041.db2.gz CMIZCRKUOAGZCF-UHFFFAOYSA-N 0 0 381.432 2.893 50 5 GFBARN C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C)C12CC3CC(CC(C3)C1)C2 ZINC000021839877 221542883 /nfs/dbraw/zinc/54/28/83/221542883.db2.gz QBVJJJQVLODMSG-JSFDKUKPSA-N 0 0 389.452 2.811 50 5 GFBARN O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccc(Br)cc1)C1CC1 ZINC000025089513 221626101 /nfs/dbraw/zinc/62/61/01/221626101.db2.gz BSRVFHPHRPGAQC-UHFFFAOYSA-N 0 0 379.214 2.745 50 5 GFBARN O=C(CS(=O)(=O)CCCc1ccccc1)OCc1cccc([N+](=O)[O-])c1 ZINC000058940592 222056699 /nfs/dbraw/zinc/05/66/99/222056699.db2.gz RAFVMWDNBDYQNJ-UHFFFAOYSA-N 0 0 377.418 2.686 50 5 GFBARN O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100292830 222458947 /nfs/dbraw/zinc/45/89/47/222458947.db2.gz MDVCUXQIKDIHNJ-UHFFFAOYSA-N 0 0 377.225 2.572 50 5 GFBARN CC(=O)N1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000032803818 551131960 /nfs/dbraw/zinc/13/19/60/551131960.db2.gz AFUXFBXTVHSELK-UHFFFAOYSA-N 0 0 379.214 2.574 50 5 GFBARN COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019758962 570216264 /nfs/dbraw/zinc/21/62/64/570216264.db2.gz YINZXAYTMAQIKL-UHFFFAOYSA-N 0 0 398.463 2.627 50 5 GFBARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000006051349 570228981 /nfs/dbraw/zinc/22/89/81/570228981.db2.gz ADWILVOEZFZVLW-UHFFFAOYSA-N 0 0 389.383 2.748 50 5 GFBARN CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000048280180 570231120 /nfs/dbraw/zinc/23/11/20/570231120.db2.gz QLQRTDVHTDTWNW-UHFFFAOYSA-N 0 0 394.435 2.952 50 5 GFBARN O=c1c([N+](=O)[O-])c(NCCN2CCOCC2)c2ccccc2n1-c1ccccc1 ZINC000020308689 570279032 /nfs/dbraw/zinc/27/90/32/570279032.db2.gz ODGMARWNKCDOQO-UHFFFAOYSA-N 0 0 394.431 2.643 50 5 GFBARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000024875059 570320514 /nfs/dbraw/zinc/32/05/14/570320514.db2.gz WTRCWCRNDWGTBU-UHFFFAOYSA-N 0 0 390.417 2.600 50 5 GFBARN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 ZINC000004850771 570346720 /nfs/dbraw/zinc/34/67/20/570346720.db2.gz MOYMFQLHTDTACH-HXUWFJFHSA-N 0 0 382.464 2.622 50 5 GFBARN COC(=O)c1ccc(OCC(=O)Nc2ccnn2C2CCCC2)c([N+](=O)[O-])c1 ZINC000024938063 570356881 /nfs/dbraw/zinc/35/68/81/570356881.db2.gz UFEMRSAXLXMKDQ-UHFFFAOYSA-N 0 0 388.380 2.711 50 5 GFBARN O=[N+]([O-])c1c2nonc2c(N2CCc3ccccc3C2)cc1N1CCOCC1 ZINC000004939238 570375428 /nfs/dbraw/zinc/37/54/28/570375428.db2.gz SDPNATBIYLAZMB-UHFFFAOYSA-N 0 0 381.392 2.530 50 5 GFBARN Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)no1 ZINC000004953423 570380712 /nfs/dbraw/zinc/38/07/12/570380712.db2.gz POXRYWNBFIURLO-UHFFFAOYSA-N 0 0 392.327 2.944 50 5 GFBARN Cc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C ZINC000005013367 570395786 /nfs/dbraw/zinc/39/57/86/570395786.db2.gz UGNLKMGADOOLLV-UHFFFAOYSA-N 0 0 391.449 2.925 50 5 GFBARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005021232 570398214 /nfs/dbraw/zinc/39/82/14/570398214.db2.gz KFVNUDDGTFOTAV-HNNXBMFYSA-N 0 0 392.751 2.570 50 5 GFBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000005053269 570406554 /nfs/dbraw/zinc/40/65/54/570406554.db2.gz HCRYXGIJGFQIFI-UWVGGRQHSA-N 0 0 378.820 2.978 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000005079970 570413250 /nfs/dbraw/zinc/41/32/50/570413250.db2.gz TYNWVAJUCZUHML-UHFFFAOYSA-N 0 0 381.344 2.947 50 5 GFBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccc(C)cc2)c1=N ZINC000100631368 570419626 /nfs/dbraw/zinc/41/96/26/570419626.db2.gz ALZITPFMHWQQCK-UHFFFAOYSA-N 0 0 388.427 2.662 50 5 GFBARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000006476736 570446872 /nfs/dbraw/zinc/44/68/72/570446872.db2.gz LWVNGCWXNKNBNP-KRWDZBQOSA-N 0 0 391.391 2.817 50 5 GFBARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000005250642 570528648 /nfs/dbraw/zinc/52/86/48/570528648.db2.gz LPUMDQAHQWWKGV-UHFFFAOYSA-N 0 0 375.406 2.777 50 5 GFBARN CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000006831455 570634861 /nfs/dbraw/zinc/63/48/61/570634861.db2.gz LBEUXOXSCUJASV-UHFFFAOYSA-N 0 0 384.392 2.642 50 5 GFBARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000005563382 570649689 /nfs/dbraw/zinc/64/96/89/570649689.db2.gz YWMBKSJVINXZGY-UHFFFAOYSA-N 0 0 382.307 2.829 50 5 GFBARN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000036395910 570679736 /nfs/dbraw/zinc/67/97/36/570679736.db2.gz JXPGLARNPBFZAO-UHFFFAOYSA-N 0 0 388.811 2.936 50 5 GFBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)COc1ccccc1 ZINC000100872717 570778327 /nfs/dbraw/zinc/77/83/27/570778327.db2.gz DHVHOEJAAMKTBY-HNENSFHCSA-N 0 0 387.417 2.764 50 5 GFBARN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)cc1 ZINC000004651482 570805667 /nfs/dbraw/zinc/80/56/67/570805667.db2.gz FJBZCUDASXYRKS-UHFFFAOYSA-N 0 0 380.360 2.879 50 5 GFBARN Cn1cc(Br)c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)n1 ZINC000005943409 570806952 /nfs/dbraw/zinc/80/69/52/570806952.db2.gz KSLIHJFXFAEQLI-UHFFFAOYSA-N 0 0 382.199 2.953 50 5 GFBARN COC(=O)CSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1C ZINC000238881525 570810055 /nfs/dbraw/zinc/81/00/55/570810055.db2.gz AMZXTHNUFSPBPX-UHFFFAOYSA-N 0 0 394.456 2.597 50 5 GFBARN COC(=O)c1cn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 ZINC000031647337 570818923 /nfs/dbraw/zinc/81/89/23/570818923.db2.gz HCNIZGYZPVZPDI-UHFFFAOYSA-N 0 0 381.348 2.523 50 5 GFBARN CCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccc(OC)nn1 ZINC000032796879 570818940 /nfs/dbraw/zinc/81/89/40/570818940.db2.gz KSXMUXWRZBVMOJ-UHFFFAOYSA-N 0 0 386.343 2.533 50 5 GFBARN Cc1ccc(C)c(N2C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)cc3C2=O)c1 ZINC000004686387 570830692 /nfs/dbraw/zinc/83/06/92/570830692.db2.gz RRXNKLHKMNPVMG-UHFFFAOYSA-N 0 0 381.388 2.849 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c1 ZINC000004525886 570841009 /nfs/dbraw/zinc/84/10/09/570841009.db2.gz WKXQUDCDQVLOCY-UHFFFAOYSA-N 0 0 380.466 2.859 50 5 GFBARN Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])nc2n1 ZINC000004523450 570842751 /nfs/dbraw/zinc/84/27/51/570842751.db2.gz HJJYAYJGPDJJDO-UHFFFAOYSA-N 0 0 376.373 2.519 50 5 GFBARN Cc1ccc(NC(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)cc1Cl ZINC000004706818 570842843 /nfs/dbraw/zinc/84/28/43/570842843.db2.gz KFLMYNNKFCTSIW-UHFFFAOYSA-N 0 0 393.827 2.600 50 5 GFBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000012561627 570866580 /nfs/dbraw/zinc/86/65/80/570866580.db2.gz RDSRSBQOEXLULA-APPDUMDISA-N 0 0 398.371 2.728 50 5 GFBARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000032910164 570913230 /nfs/dbraw/zinc/91/32/30/570913230.db2.gz WQDMYDXDKMNVPV-STQMWFEESA-N 0 0 375.425 2.513 50 5 GFBARN CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004748871 570954634 /nfs/dbraw/zinc/95/46/34/570954634.db2.gz DPGSCILKDLXQRU-UHFFFAOYSA-N 0 0 382.420 2.906 50 5 GFBARN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000004747796 570958266 /nfs/dbraw/zinc/95/82/66/570958266.db2.gz RRLSZOJVNUGXJA-UHFFFAOYSA-N 0 0 382.420 2.824 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000025836810 570975596 /nfs/dbraw/zinc/97/55/96/570975596.db2.gz UVELSCZCOAQLTQ-NSHDSACASA-N 0 0 383.326 2.995 50 5 GFBARN C[C@@H]1CCCN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC000045801757 570997197 /nfs/dbraw/zinc/99/71/97/570997197.db2.gz JJFBJFZCZGZOPX-OAHLLOKOSA-N 0 0 385.468 2.873 50 5 GFBARN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)cc1 ZINC000037521893 571023559 /nfs/dbraw/zinc/02/35/59/571023559.db2.gz VLEFWMXNEWHDGD-CQSZACIVSA-N 0 0 383.404 2.871 50 5 GFBARN O=C(Nc1ccccc1Br)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002787937 654438014 /nfs/dbraw/zinc/43/80/14/654438014.db2.gz IWFQVSGYNPFMKJ-UHFFFAOYSA-N 0 0 391.185 2.508 50 5 GFBARN Cc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001128983 212221218 /nfs/dbraw/zinc/22/12/18/212221218.db2.gz HZAGQXFUYUOXTN-KRWDZBQOSA-N 0 0 391.391 2.817 50 5 GFBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccncc1 ZINC000000705329 212175964 /nfs/dbraw/zinc/17/59/64/212175964.db2.gz SYRJGRXSVZQSTL-HNNXBMFYSA-N 0 0 380.282 2.599 50 5 GFBARN C[C@H](OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000024642375 212113909 /nfs/dbraw/zinc/11/39/09/212113909.db2.gz FCYPCCQVBJCHFR-SFAZFZRQSA-N 0 0 396.827 2.829 50 5 GFBARN Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1[N+](=O)[O-] ZINC000003008416 220596818 /nfs/dbraw/zinc/59/68/18/220596818.db2.gz FIIDZHFMXMVPAJ-UHFFFAOYSA-N 0 0 392.437 2.535 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000004818939 220769668 /nfs/dbraw/zinc/76/96/68/220769668.db2.gz LTCFMFLOUJHDNC-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000005889215 220905263 /nfs/dbraw/zinc/90/52/63/220905263.db2.gz WCQWQZOVJJNSML-UHFFFAOYSA-N 0 0 384.440 2.942 50 5 GFBARN Cc1nc2ncnn2c(C)c1CCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007068591 220985119 /nfs/dbraw/zinc/98/51/19/220985119.db2.gz AAMXLAGELQBUAD-CYBMUJFWSA-N 0 0 382.424 2.802 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000007091041 220985988 /nfs/dbraw/zinc/98/59/88/220985988.db2.gz FLLBRBDGDHXXCO-LBPRGKRZSA-N 0 0 385.376 2.746 50 5 GFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008245970 221033020 /nfs/dbraw/zinc/03/30/20/221033020.db2.gz YKPOYQHEIADQDV-CYBMUJFWSA-N 0 0 389.358 2.903 50 5 GFBARN COc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)c([N+](=O)[O-])c1 ZINC000008780252 221058925 /nfs/dbraw/zinc/05/89/25/221058925.db2.gz JRVPKLUNBBZKOI-UHFFFAOYSA-N 0 0 398.379 2.702 50 5 GFBARN CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=S)NC2=O)[C@@H]1c1ccccc1 ZINC000008737915 221054039 /nfs/dbraw/zinc/05/40/39/221054039.db2.gz MNDMEEBVJFUQSK-HNNXBMFYSA-N 0 0 396.428 2.686 50 5 GFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000011029099 221109782 /nfs/dbraw/zinc/10/97/82/221109782.db2.gz AQRJKMWCJOVAGI-UHFFFAOYSA-N 0 0 390.735 2.619 50 5 GFBARN COC(=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000012370014 221186853 /nfs/dbraw/zinc/18/68/53/221186853.db2.gz BIKUGLOLFPVQEF-UHFFFAOYSA-N 0 0 379.398 2.730 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(N2CCCC2=O)c1 ZINC000012998920 221255684 /nfs/dbraw/zinc/25/56/84/221255684.db2.gz BVSYYANXNAYWNR-UHFFFAOYSA-N 0 0 385.376 2.748 50 5 GFBARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccco3)n2)c([N+](=O)[O-])c1 ZINC000014152348 221301702 /nfs/dbraw/zinc/30/17/02/221301702.db2.gz YUPWNOFXSMEIDW-UHFFFAOYSA-N 0 0 375.366 2.712 50 5 GFBARN O=[N+]([O-])c1ccc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015102095 221332965 /nfs/dbraw/zinc/33/29/65/221332965.db2.gz LDXJHVDGXVBVHK-UHFFFAOYSA-N 0 0 393.440 2.631 50 5 GFBARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)nn1 ZINC000015880861 221351426 /nfs/dbraw/zinc/35/14/26/221351426.db2.gz ZQBGILSEIZDIDS-UHFFFAOYSA-N 0 0 398.400 2.708 50 5 GFBARN Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017334349 221384174 /nfs/dbraw/zinc/38/41/74/221384174.db2.gz PXHYOWBNNSELEY-UHFFFAOYSA-N 0 0 378.388 2.721 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695417 221369897 /nfs/dbraw/zinc/36/98/97/221369897.db2.gz ROMALMYWVULERQ-WMLDXEAASA-N 0 0 385.420 2.544 50 5 GFBARN CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 ZINC000040117091 132397237 /nfs/dbraw/zinc/39/72/37/132397237.db2.gz UHZCZZBPZXSZSO-UHFFFAOYSA-N 0 0 375.450 2.985 50 5 GFBARN C[C@H]1C(=O)N(c2ccc(F)cc2F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096230646 136185268 /nfs/dbraw/zinc/18/52/68/136185268.db2.gz ZALATBGCGXLZPE-NSHDSACASA-N 0 0 375.331 2.751 50 5 GFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000032883881 221743904 /nfs/dbraw/zinc/74/39/04/221743904.db2.gz UVIHJFHYMMQCGX-AWEZNQCLSA-N 0 0 397.435 2.737 50 5 GFBARN Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)n2)cc1 ZINC000032904635 221746560 /nfs/dbraw/zinc/74/65/60/221746560.db2.gz ITVLBWGKAQJJTL-UHFFFAOYSA-N 0 0 397.391 2.504 50 5 GFBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055448061 222023407 /nfs/dbraw/zinc/02/34/07/222023407.db2.gz PLHQAKCOJSHTIE-XUWXXGDYSA-N 0 0 398.419 2.727 50 5 GFBARN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](c2ccccc2)O1 ZINC000062515642 222065969 /nfs/dbraw/zinc/06/59/69/222065969.db2.gz UQBVHKNCXQCMMN-YJYMSZOUSA-N 0 0 384.388 2.968 50 5 GFBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335265 222326674 /nfs/dbraw/zinc/32/66/74/222326674.db2.gz YRLFGBXBOJTNHN-AWEZNQCLSA-N 0 0 380.809 2.849 50 5 GFBARN O=C(CCS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000101160303 222467569 /nfs/dbraw/zinc/46/75/69/222467569.db2.gz DDJXVFIVYAUCLA-INIZCTEOSA-N 0 0 399.428 2.989 50 5 GFBARN O=C(COc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000004842460 551095048 /nfs/dbraw/zinc/09/50/48/551095048.db2.gz WOLTWGUUJLRMHS-UHFFFAOYSA-N 0 0 399.144 2.612 50 5 GFBARN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000005060088 551096134 /nfs/dbraw/zinc/09/61/34/551096134.db2.gz LKPLUELEUVQHED-UHFFFAOYSA-N 0 0 383.813 2.507 50 5 GFBARN CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3cccs3)nc2N1 ZINC000004294135 570217349 /nfs/dbraw/zinc/21/73/49/570217349.db2.gz TXASBYKFXRAZMA-CQSZACIVSA-N 0 0 382.405 2.689 50 5 GFBARN O=C(COC(=O)c1cccnc1N1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000016289855 570321995 /nfs/dbraw/zinc/32/19/95/570321995.db2.gz XOFZDUPOQFUTKX-UHFFFAOYSA-N 0 0 388.355 2.525 50 5 GFBARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005053396 570406545 /nfs/dbraw/zinc/40/65/45/570406545.db2.gz KLJKXVIRUYQVIO-HZMBPMFUSA-N 0 0 375.406 2.807 50 5 GFBARN COc1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000005079956 570413243 /nfs/dbraw/zinc/41/32/43/570413243.db2.gz BKVNCHLZKLXHLY-UHFFFAOYSA-N 0 0 381.344 2.947 50 5 GFBARN COc1cccc2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000000841077 570420178 /nfs/dbraw/zinc/42/01/78/570420178.db2.gz GKGXCRNDVCIYOU-UHFFFAOYSA-N 0 0 383.312 2.750 50 5 GFBARN CNc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000024208196 570475174 /nfs/dbraw/zinc/47/51/74/570475174.db2.gz QSXGSBIEYCMAAS-LJQANCHMSA-N 0 0 398.463 2.748 50 5 GFBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 ZINC000005436866 570592605 /nfs/dbraw/zinc/59/26/05/570592605.db2.gz ZCZDYJMZIROOEG-UHFFFAOYSA-N 0 0 379.319 2.735 50 5 GFBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000005659389 570680444 /nfs/dbraw/zinc/68/04/44/570680444.db2.gz RNHFCWPYMIPHKV-UHFFFAOYSA-N 0 0 379.413 2.553 50 5 GFBARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006886595 570680896 /nfs/dbraw/zinc/68/08/96/570680896.db2.gz JCRICWFJWPBOSR-UHFFFAOYSA-N 0 0 392.297 2.906 50 5 GFBARN O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1NC=C[C@]1(O)C(F)(F)F ZINC000006927033 570708380 /nfs/dbraw/zinc/70/83/80/570708380.db2.gz RXBMIHSASINWKR-HNNXBMFYSA-N 0 0 399.281 2.849 50 5 GFBARN COc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1F ZINC000032724227 570768970 /nfs/dbraw/zinc/76/89/70/570768970.db2.gz KCIVBOZWDFVDBB-UHFFFAOYSA-N 0 0 377.280 2.511 50 5 GFBARN CCOC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100877245 570778429 /nfs/dbraw/zinc/77/84/29/570778429.db2.gz QELYIFOGGJHPHI-HNENSFHCSA-N 0 0 385.401 2.915 50 5 GFBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C ZINC000007325587 570829541 /nfs/dbraw/zinc/82/95/41/570829541.db2.gz CAUJCLDTQABPEE-LLVKDONJSA-N 0 0 391.405 2.732 50 5 GFBARN CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004524498 570841217 /nfs/dbraw/zinc/84/12/17/570841217.db2.gz OUEQEBKNSRPTHX-UHFFFAOYSA-N 0 0 383.451 2.939 50 5 GFBARN O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033239690 570855844 /nfs/dbraw/zinc/85/58/44/570855844.db2.gz LQZUFSINGCGIHD-UHFFFAOYSA-N 0 0 388.387 2.896 50 5 GFBARN O=C1CCC[C@]2(O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2Cc1ccccc1 ZINC000103490425 570885719 /nfs/dbraw/zinc/88/57/19/570885719.db2.gz CXMOFCQVTLWJRC-DYXWJJEUSA-N 0 0 395.415 2.919 50 5 GFBARN Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2ON=C(c3ccccc3Cl)C2=C1O ZINC000103545156 570886929 /nfs/dbraw/zinc/88/69/29/570886929.db2.gz RAPOUFQYDHXOJB-GDBMZVCRSA-N 0 0 385.763 2.849 50 5 GFBARN COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Sc1nc(C)cc(C)n1 ZINC000004745523 570960422 /nfs/dbraw/zinc/96/04/22/570960422.db2.gz GMEDPCRQBAURGH-UHFFFAOYSA-N 0 0 377.378 2.726 50 5 GFBARN CCOC(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1C ZINC000252624469 571037912 /nfs/dbraw/zinc/03/79/12/571037912.db2.gz POLLWOGOMWINIK-ZRNYENFQSA-N 0 0 398.415 2.763 50 5 GFBARN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCn1cc(Br)ccc1=O ZINC000095463482 655029670 /nfs/dbraw/zinc/02/96/70/655029670.db2.gz SSIADKGDOXAGJA-UHFFFAOYSA-N 0 0 381.182 2.684 50 5 GFBARN COc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010218745 212238903 /nfs/dbraw/zinc/23/89/03/212238903.db2.gz BXUTWDMTCWQERR-UHFFFAOYSA-N 0 0 378.406 2.796 50 5 GFBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 ZINC000001392144 212241029 /nfs/dbraw/zinc/24/10/29/212241029.db2.gz OTEHUHFNVVBGEZ-WMLDXEAASA-N 0 0 385.474 2.636 50 5 GFBARN CNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 ZINC000001140963 212222027 /nfs/dbraw/zinc/22/20/27/212222027.db2.gz UNVDWTNTXXDNKQ-UHFFFAOYSA-N 0 0 383.433 2.740 50 5 GFBARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000000971852 212200648 /nfs/dbraw/zinc/20/06/48/212200648.db2.gz OXLNPDCQIGWOPP-UHFFFAOYSA-N 0 0 382.420 2.824 50 5 GFBARN CCOC(=O)C1C(c2ccccc2)=Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000950615 212198680 /nfs/dbraw/zinc/19/86/80/212198680.db2.gz YBYAOABLFKGMDR-KRWDZBQOSA-N 0 0 392.375 2.571 50 5 GFBARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 ZINC000000950562 212198359 /nfs/dbraw/zinc/19/83/59/212198359.db2.gz MYVZNKMVWOVWSN-INIZCTEOSA-N 0 0 377.364 2.509 50 5 GFBARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000000712585 212176905 /nfs/dbraw/zinc/17/69/05/212176905.db2.gz MWJDWBXKECJTEJ-OAHLLOKOSA-N 0 0 382.372 2.682 50 5 GFBARN CC[C@@H](C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000000754951 212179561 /nfs/dbraw/zinc/17/95/61/212179561.db2.gz QBSAUYUTRCTFEZ-FZKQIMNGSA-N 0 0 395.415 2.717 50 5 GFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000671714 212172153 /nfs/dbraw/zinc/17/21/53/212172153.db2.gz UIYBTCBNMCCNPG-UHFFFAOYSA-N 0 0 381.841 2.759 50 5 GFBARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000845620 220461364 /nfs/dbraw/zinc/46/13/64/220461364.db2.gz DPUAIFOXNYNDNF-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000002663612 220549779 /nfs/dbraw/zinc/54/97/79/220549779.db2.gz IGBHZOMXKAQSPT-UHFFFAOYSA-N 0 0 388.771 2.549 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000003376970 220636623 /nfs/dbraw/zinc/63/66/23/220636623.db2.gz CUECPMIUOJHZEW-UHFFFAOYSA-N 0 0 386.360 2.976 50 5 GFBARN CCOC(=O)[C@H](CSC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000004014092 220671837 /nfs/dbraw/zinc/67/18/37/220671837.db2.gz RKZLICUXSJJYJX-ZDUSSCGKSA-N 0 0 398.437 2.925 50 5 GFBARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004066252 220675658 /nfs/dbraw/zinc/67/56/58/220675658.db2.gz DJVIFJNXXQGTPZ-GOSISDBHSA-N 0 0 397.387 2.845 50 5 GFBARN Cc1csc2nc(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(=O)n12 ZINC000006053207 220916255 /nfs/dbraw/zinc/91/62/55/220916255.db2.gz IJBINHMOMDUGAX-UHFFFAOYSA-N 0 0 379.781 2.983 50 5 GFBARN COc1cc(C2=NC(=CNc3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC ZINC000006735766 220954304 /nfs/dbraw/zinc/95/43/04/220954304.db2.gz MJGUSUITJLJVCU-UVTDQMKNSA-N 0 0 399.359 2.878 50 5 GFBARN O=[N+]([O-])c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008779784 221058043 /nfs/dbraw/zinc/05/80/43/221058043.db2.gz DTWZVOJJRAFWEC-UHFFFAOYSA-N 0 0 395.481 2.918 50 5 GFBARN O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1OCCc2ccccc21 ZINC000009054197 221069321 /nfs/dbraw/zinc/06/93/21/221069321.db2.gz ZZBQOKTYKRNRML-SFHVURJKSA-N 0 0 383.404 2.744 50 5 GFBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000010292889 221100601 /nfs/dbraw/zinc/10/06/01/221100601.db2.gz AXUNPWFAHOGADN-UHFFFAOYSA-N 0 0 399.403 2.557 50 5 GFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000010620749 221105176 /nfs/dbraw/zinc/10/51/76/221105176.db2.gz NREBUPMRJVYYQC-UHFFFAOYSA-N 0 0 378.406 2.547 50 5 GFBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011100027 221111404 /nfs/dbraw/zinc/11/14/04/221111404.db2.gz JIBXTJFVYZVKNE-VXGBXAGGSA-N 0 0 379.800 2.752 50 5 GFBARN COc1cc(C(=O)Nn2cnc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000011915490 221136474 /nfs/dbraw/zinc/13/64/74/221136474.db2.gz JZQGCKNYGIJNTR-UHFFFAOYSA-N 0 0 378.291 2.938 50 5 GFBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccncc21 ZINC000012557621 221207373 /nfs/dbraw/zinc/20/73/73/221207373.db2.gz CJSMJCGAIZLKSH-UHFFFAOYSA-N 0 0 398.444 2.654 50 5 GFBARN COc1ccccc1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccn1C ZINC000012628264 221215748 /nfs/dbraw/zinc/21/57/48/221215748.db2.gz CSUKWTTZWVTLHK-QGZVFWFLSA-N 0 0 381.392 2.637 50 5 GFBARN Cc1cc(=O)c(C(=O)NC[C@H](C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000013001134 221255763 /nfs/dbraw/zinc/25/57/63/221255763.db2.gz ZSEHSTAZQKAAHR-AWEZNQCLSA-N 0 0 392.415 2.983 50 5 GFBARN O=C1CCC[C@]2(O)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2Cc1ccccc1 ZINC000013302761 221265554 /nfs/dbraw/zinc/26/55/54/221265554.db2.gz CXMOFCQVTLWJRC-ZVDOUQERSA-N 0 0 395.415 2.919 50 5 GFBARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000013019837 221257465 /nfs/dbraw/zinc/25/74/65/221257465.db2.gz IYZWDJGVBXEIOT-AWEZNQCLSA-N 0 0 381.392 2.774 50 5 GFBARN CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000016196448 221358546 /nfs/dbraw/zinc/35/85/46/221358546.db2.gz WYJBPSCJIGXXLG-UHFFFAOYSA-N 0 0 385.401 2.990 50 5 GFBARN CCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000016812815 221372009 /nfs/dbraw/zinc/37/20/09/221372009.db2.gz IZSOGPPIOGORAE-UHFFFAOYSA-N 0 0 384.421 2.659 50 5 GFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000020028515 221468279 /nfs/dbraw/zinc/46/82/79/221468279.db2.gz YDDQGNCSMKAXFV-UHFFFAOYSA-N 0 0 395.868 2.755 50 5 GFBARN O=C(CCn1cccn1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000040069598 132393544 /nfs/dbraw/zinc/39/35/44/132393544.db2.gz BXDYSCQUHMYQIB-UHFFFAOYSA-N 0 0 397.357 2.549 50 5 GFBARN O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1c[nH]c2ccccc12 ZINC000004232378 136193785 /nfs/dbraw/zinc/19/37/85/136193785.db2.gz FRRMBLTVIPJOCJ-UHFFFAOYSA-N 0 0 378.388 2.608 50 5 GFBARN CCCCCn1ccc2cc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O ZINC000095115665 222329874 /nfs/dbraw/zinc/32/98/74/222329874.db2.gz RPCNGIUTZLFYRM-UHFFFAOYSA-N 0 0 395.503 2.839 50 5 GFBARN O=C(NCCNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000089773118 534347561 /nfs/dbraw/zinc/34/75/61/534347561.db2.gz YNLBEFZFNKJMJD-UHFFFAOYSA-N 0 0 377.466 2.886 50 5 GFBARN CN1C[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 ZINC000170602411 536484873 /nfs/dbraw/zinc/48/48/73/536484873.db2.gz FEDOBGULXAKTLO-OAHLLOKOSA-N 0 0 378.432 2.974 50 5 GFBARN O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCCCC2)c(Cl)cc1Cl ZINC000225392865 553059134 /nfs/dbraw/zinc/05/91/34/553059134.db2.gz CQSGDGRERFIWGA-UHFFFAOYSA-N 0 0 382.269 2.666 50 5 GFBARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006046372 570222789 /nfs/dbraw/zinc/22/27/89/570222789.db2.gz VVZIGWBAAKKWFZ-QGZVFWFLSA-N 0 0 382.376 2.870 50 5 GFBARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006047136 570223802 /nfs/dbraw/zinc/22/38/02/570223802.db2.gz RSLVTAMMKYYFMF-UHFFFAOYSA-N 0 0 391.405 2.801 50 5 GFBARN C[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000048302211 570234780 /nfs/dbraw/zinc/23/47/80/570234780.db2.gz XXGLFYYWWLSQDD-CQSZACIVSA-N 0 0 380.404 2.962 50 5 GFBARN CCOc1c(Cl)cc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000048362665 570244899 /nfs/dbraw/zinc/24/48/99/570244899.db2.gz VWWJAKXJLVSXJH-UHFFFAOYSA-N 0 0 396.831 2.785 50 5 GFBARN COc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1 ZINC000000679928 570288681 /nfs/dbraw/zinc/28/86/81/570288681.db2.gz YZMHCMFLUHZCAB-UHFFFAOYSA-N 0 0 384.392 2.988 50 5 GFBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033391211 570297328 /nfs/dbraw/zinc/29/73/28/570297328.db2.gz JQDFPCJJXCFNRP-DAXSKMNVSA-N 0 0 396.403 2.974 50 5 GFBARN COC(=O)c1c(C)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000024872947 570321574 /nfs/dbraw/zinc/32/15/74/570321574.db2.gz FDBIYLSHLONVSI-UHFFFAOYSA-N 0 0 399.403 2.779 50 5 GFBARN Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 ZINC000004850772 570346879 /nfs/dbraw/zinc/34/68/79/570346879.db2.gz MOYMFQLHTDTACH-FQEVSTJZSA-N 0 0 382.464 2.622 50 5 GFBARN Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N2CCOCC2)cc1 ZINC000004964761 570382480 /nfs/dbraw/zinc/38/24/80/570382480.db2.gz DQPGHDXZEFZQPN-RGEXLXHISA-N 0 0 395.415 2.533 50 5 GFBARN Nc1nc(NCc2ccc(Cl)cc2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000005030882 570400812 /nfs/dbraw/zinc/40/08/12/570400812.db2.gz SPIJOQGOMNUEHZ-GFCCVEGCSA-N 0 0 378.820 2.823 50 5 GFBARN CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005034602 570403291 /nfs/dbraw/zinc/40/32/91/570403291.db2.gz BUYCOHWUTRDCBD-UHFFFAOYSA-N 0 0 388.405 2.676 50 5 GFBARN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000006476648 570446160 /nfs/dbraw/zinc/44/61/60/570446160.db2.gz CIFNPLUNMKMAPN-UHFFFAOYSA-N 0 0 377.422 2.616 50 5 GFBARN Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C[C@@H]1CCCO1 ZINC000000887424 570700677 /nfs/dbraw/zinc/70/06/77/570700677.db2.gz NLCVPICVBWCCQI-AWEZNQCLSA-N 0 0 391.453 2.713 50 5 GFBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000971736 570740938 /nfs/dbraw/zinc/74/09/38/570740938.db2.gz MUMVFOADEKEQQH-UHFFFAOYSA-N 0 0 385.767 2.709 50 5 GFBARN C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000032738273 570789968 /nfs/dbraw/zinc/78/99/68/570789968.db2.gz KLNZJXHUHCROCY-ZDUSSCGKSA-N 0 0 395.419 2.799 50 5 GFBARN O=C(c1ccccc1Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 ZINC000005867276 570798190 /nfs/dbraw/zinc/79/81/90/570798190.db2.gz WJSGDZOMUHRHHO-UHFFFAOYSA-N 0 0 391.311 2.907 50 5 GFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004525882 570840982 /nfs/dbraw/zinc/84/09/82/570840982.db2.gz ZCCGALGFSVAKGD-UHFFFAOYSA-N 0 0 380.466 2.859 50 5 GFBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000170594194 570852087 /nfs/dbraw/zinc/85/20/87/570852087.db2.gz ARQCPVKSQVYVHM-OAHLLOKOSA-N 0 0 377.759 2.701 50 5 GFBARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)cc([N+](=O)[O-])c2C)c1 ZINC000004717688 570856940 /nfs/dbraw/zinc/85/69/40/570856940.db2.gz XXMWATKMEIKCPA-UHFFFAOYSA-N 0 0 389.433 2.905 50 5 GFBARN CCN(CC)S(=O)(=O)c1cc2c(=O)nc3cc(C)ccn3c2cc1Cl ZINC000004708652 570986698 /nfs/dbraw/zinc/98/66/98/570986698.db2.gz YDTANVIGQIQQDF-UHFFFAOYSA-N 0 0 379.869 2.840 50 5 GFBARN CC(C)(NC(=O)CCn1cnc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000032399632 654601671 /nfs/dbraw/zinc/60/16/71/654601671.db2.gz CWWGVITVNKKQLC-UHFFFAOYSA-N 0 0 381.230 2.995 50 5 GFBARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000012783929 230881485 /nfs/dbraw/zinc/88/14/85/230881485.db2.gz ZQAQUGKNQPDSFB-VXGBXAGGSA-N 0 0 376.438 2.913 50 5 GFBARN Cn1c2ccccc2c2c(c1=O)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)O2 ZINC000001427898 212243385 /nfs/dbraw/zinc/24/33/85/212243385.db2.gz XVZNZOSYGZCQCY-GFCCVEGCSA-N 0 0 394.339 2.616 50 5 GFBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 ZINC000001392143 212241351 /nfs/dbraw/zinc/24/13/51/212241351.db2.gz OTEHUHFNVVBGEZ-PBHICJAKSA-N 0 0 385.474 2.636 50 5 GFBARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000833077 212187111 /nfs/dbraw/zinc/18/71/11/212187111.db2.gz BFUXIOYLQJJQQT-HNNXBMFYSA-N 0 0 375.406 2.808 50 5 GFBARN CC[C@@H](c1nc2c3cnn(-c4ccccc4)c3ncn2n1)n1cc([N+](=O)[O-])cn1 ZINC000002809303 220570830 /nfs/dbraw/zinc/57/08/30/220570830.db2.gz SEFOOLDIHDHSQI-HNNXBMFYSA-N 0 0 389.379 2.567 50 5 GFBARN Cn1cnnc1Sc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000003240244 220613251 /nfs/dbraw/zinc/61/32/51/220613251.db2.gz LOHNQVXMZYPCIZ-UHFFFAOYSA-N 0 0 378.410 2.647 50 5 GFBARN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC ZINC000004310113 220702816 /nfs/dbraw/zinc/70/28/16/220702816.db2.gz AMYFRWPWHZTLTJ-UHFFFAOYSA-N 0 0 391.405 2.747 50 5 GFBARN COc1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N(c2cccc(C(C)=O)c2)C1=O ZINC000007777723 221010085 /nfs/dbraw/zinc/01/00/85/221010085.db2.gz DICNHMYCXVRKSW-MRXNPFEDSA-N 0 0 383.360 2.550 50 5 GFBARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000008050736 221025316 /nfs/dbraw/zinc/02/53/16/221025316.db2.gz GZRJBCKNKRWGQB-UHFFFAOYSA-N 0 0 388.399 2.645 50 5 GFBARN COc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 ZINC000008782339 221059102 /nfs/dbraw/zinc/05/91/02/221059102.db2.gz UJHFKPGMBSCNOP-GFCCVEGCSA-N 0 0 385.376 2.604 50 5 GFBARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000008915211 221063211 /nfs/dbraw/zinc/06/32/11/221063211.db2.gz INEONGTXFKNLRN-UHFFFAOYSA-N 0 0 398.828 2.783 50 5 GFBARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000008946261 221065990 /nfs/dbraw/zinc/06/59/90/221065990.db2.gz ZBVGMDIWLUQNEF-FQEVSTJZSA-N 0 0 396.403 2.781 50 5 GFBARN O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000008991437 221067689 /nfs/dbraw/zinc/06/76/89/221067689.db2.gz LBYVYYMRTPBBAS-UHFFFAOYSA-N 0 0 388.383 2.903 50 5 GFBARN COC(=O)c1ccccc1C(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000012526583 221202803 /nfs/dbraw/zinc/20/28/03/221202803.db2.gz VEVPRBDHYPUNBT-UHFFFAOYSA-N 0 0 384.388 2.574 50 5 GFBARN COc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000012554575 221205958 /nfs/dbraw/zinc/20/59/58/221205958.db2.gz PWOHNPHHWOIIEX-HNNXBMFYSA-N 0 0 398.463 2.846 50 5 GFBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1N1CCOCC1 ZINC000012554417 221206067 /nfs/dbraw/zinc/20/60/67/221206067.db2.gz VTIUEWUTIIKRNG-MRXNPFEDSA-N 0 0 398.463 2.890 50 5 GFBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)C1 ZINC000012634339 221216879 /nfs/dbraw/zinc/21/68/79/221216879.db2.gz BOSADZCWSQSUPB-ZNMIVQPWSA-N 0 0 397.497 2.852 50 5 GFBARN COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012905390 221243787 /nfs/dbraw/zinc/24/37/87/221243787.db2.gz MDSWBNSOUKYZGZ-GOSISDBHSA-N 0 0 399.447 2.715 50 5 GFBARN COc1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000014098963 221298782 /nfs/dbraw/zinc/29/87/82/221298782.db2.gz MZQNBSBUKKRIPO-UHFFFAOYSA-N 0 0 387.417 2.832 50 5 GFBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000015209517 221334046 /nfs/dbraw/zinc/33/40/46/221334046.db2.gz NSWLAKLGGPIPLT-CYBMUJFWSA-N 0 0 379.438 2.603 50 5 GFBARN COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000015139738 221334162 /nfs/dbraw/zinc/33/41/62/221334162.db2.gz CQUKGSKIINVMLQ-UHFFFAOYSA-N 0 0 389.408 2.617 50 5 GFBARN Cc1ccccc1-c1nc2[nH]c(=O)cc(NC(=O)c3cccc([N+](=O)[O-])c3)n2n1 ZINC000016972828 221374561 /nfs/dbraw/zinc/37/45/61/221374561.db2.gz VGBGFWCZQMTHLQ-UHFFFAOYSA-N 0 0 390.359 2.966 50 5 GFBARN Cn1nnnc1Sc1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000020414294 221485978 /nfs/dbraw/zinc/48/59/78/221485978.db2.gz SPDAIPCPWGLGKM-UHFFFAOYSA-N 0 0 380.389 2.778 50 5 GFBARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000058158688 136154453 /nfs/dbraw/zinc/15/44/53/136154453.db2.gz QALGIEVBFZFEDP-UHFFFAOYSA-N 0 0 390.827 2.715 50 5 GFBARN Cc1ccc(-c2nn3c(nc2=O)c2ccccc2nc3N2CCOCC2)cc1C ZINC000089643291 136175606 /nfs/dbraw/zinc/17/56/06/136175606.db2.gz NSMIWCWLSDWZLS-UHFFFAOYSA-N 0 0 387.443 2.758 50 5 GFBARN O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000012536586 136200464 /nfs/dbraw/zinc/20/04/64/136200464.db2.gz YSKHETZTJPMWQK-ZDUSSCGKSA-N 0 0 387.358 2.846 50 5 GFBARN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564725 136202100 /nfs/dbraw/zinc/20/21/00/136202100.db2.gz MBEZTIHKYUCWIA-MRXNPFEDSA-N 0 0 380.448 2.695 50 5 GFBARN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000024886383 221620863 /nfs/dbraw/zinc/62/08/63/221620863.db2.gz MCJRTDNNUVENSB-UHFFFAOYSA-N 0 0 398.371 2.917 50 5 GFBARN CN(Cc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000040083241 221902616 /nfs/dbraw/zinc/90/26/16/221902616.db2.gz OGXUBTRNANMBGD-UHFFFAOYSA-N 0 0 390.465 2.801 50 5 GFBARN COc1cc(OC)c(C2=CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c(OC)c1 ZINC000047331223 221975752 /nfs/dbraw/zinc/97/57/52/221975752.db2.gz HRJKSULVIMNSIL-UHFFFAOYSA-N 0 0 388.424 2.956 50 5 GFBARN CNC(=O)c1ccc(Sc2nnc(N3CCCCC3)s2)c([N+](=O)[O-])c1 ZINC000058209889 222045873 /nfs/dbraw/zinc/04/58/73/222045873.db2.gz KGABOKCMPUUPOI-UHFFFAOYSA-N 0 0 379.467 2.947 50 5 GFBARN COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(C)c2cc1OC ZINC000101035617 222466011 /nfs/dbraw/zinc/46/60/11/222466011.db2.gz JYCFILQAAHHXOA-NXVVXOECSA-N 0 0 379.419 2.968 50 5 GFBARN CC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004531812 526893179 /nfs/dbraw/zinc/89/31/79/526893179.db2.gz ZNKWACYHILXUCL-SECBINFHSA-N 0 0 385.660 2.714 50 5 GFBARN NS(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000003200440 551092020 /nfs/dbraw/zinc/09/20/20/551092020.db2.gz XQEVQFFZXFRHAR-UHFFFAOYSA-N 0 0 377.403 2.709 50 5 GFBARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006050380 570224822 /nfs/dbraw/zinc/22/48/22/570224822.db2.gz BCYZDWWYQPTHKC-KRWDZBQOSA-N 0 0 382.376 2.870 50 5 GFBARN Cc1nn(CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000048365960 570245835 /nfs/dbraw/zinc/24/58/35/570245835.db2.gz NMZNLASUDLDAQK-UHFFFAOYSA-N 0 0 399.451 2.853 50 5 GFBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023379452 570322532 /nfs/dbraw/zinc/32/25/32/570322532.db2.gz GKSIRIJOVFCKTL-QPJJXVBHSA-N 0 0 396.403 2.974 50 5 GFBARN CS(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000006250518 570348345 /nfs/dbraw/zinc/34/83/45/570348345.db2.gz RSCUYXKFCXABAW-UHFFFAOYSA-N 0 0 395.868 2.978 50 5 GFBARN Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)CCC1=O ZINC000005063727 570409107 /nfs/dbraw/zinc/40/91/07/570409107.db2.gz JHXZATAVGQENCF-UHFFFAOYSA-N 0 0 396.403 2.716 50 5 GFBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(C)c1 ZINC000006581101 570483048 /nfs/dbraw/zinc/48/30/48/570483048.db2.gz APSGVELCRGXXRD-UHFFFAOYSA-N 0 0 391.449 2.976 50 5 GFBARN CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000006757620 570574445 /nfs/dbraw/zinc/57/44/45/570574445.db2.gz TXMPCYGTFDRXNS-MRXNPFEDSA-N 0 0 398.371 2.626 50 5 GFBARN CCOC(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)cc1 ZINC000006783927 570590118 /nfs/dbraw/zinc/59/01/18/570590118.db2.gz LSLHPZWOOUBBTI-UHFFFAOYSA-N 0 0 383.158 2.509 50 5 GFBARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccn1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000001132256 570756385 /nfs/dbraw/zinc/75/63/85/570756385.db2.gz PUXTWGXQYOOUKW-GLCVTWPJSA-N 0 0 397.390 2.867 50 5 GFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000001162780 570759323 /nfs/dbraw/zinc/75/93/23/570759323.db2.gz VHKMWGNQRVMNMV-UHFFFAOYSA-N 0 0 375.406 2.632 50 5 GFBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000007069316 570779405 /nfs/dbraw/zinc/77/94/05/570779405.db2.gz UCAOASMTFAKQJL-LBPRGKRZSA-N 0 0 388.449 2.940 50 5 GFBARN O=C(COC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001196197 570792581 /nfs/dbraw/zinc/79/25/81/570792581.db2.gz OIRQCLZKORYFTB-KRWDZBQOSA-N 0 0 398.371 2.984 50 5 GFBARN COc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497220 570812916 /nfs/dbraw/zinc/81/29/16/570812916.db2.gz ZHGVSJLKVODAGU-WQTJRACASA-N 0 0 381.388 2.538 50 5 GFBARN O=[N+]([O-])c1ccc(NCCNc2nc(N3CCOCC3)nc3ccccc32)cc1 ZINC000004688317 570834374 /nfs/dbraw/zinc/83/43/74/570834374.db2.gz ULMLAWWSLBDCOE-UHFFFAOYSA-N 0 0 394.435 2.899 50 5 GFBARN CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H]2C[C@H](C)OC2=O)cc1[N+](=O)[O-] ZINC000012561629 570866461 /nfs/dbraw/zinc/86/64/61/570866461.db2.gz RDSRSBQOEXLULA-GTNSWQLSSA-N 0 0 398.371 2.728 50 5 GFBARN NC(=O)c1ccc(SCC(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000015615902 571029787 /nfs/dbraw/zinc/02/97/87/571029787.db2.gz CVSDRWSMGPWRBY-UHFFFAOYSA-N 0 0 398.444 2.626 50 5 GFBARN C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000205881126 571048726 /nfs/dbraw/zinc/04/87/26/571048726.db2.gz ZIFXYEQQDVXSEN-ZDUSSCGKSA-N 0 0 399.469 2.615 50 5 GFBARN O=C(Nc1cccc(Br)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000002797069 654438633 /nfs/dbraw/zinc/43/86/33/654438633.db2.gz SOTGASJAMHPBSM-UHFFFAOYSA-N 0 0 391.185 2.508 50 5 GFBARN Cc1ccc(NC(=O)CSc2nc(=O)c3ccsc3[nH]2)cc1[N+](=O)[O-] ZINC000003017852 654439259 /nfs/dbraw/zinc/43/92/59/654439259.db2.gz LZUADKAYLXJBIM-UHFFFAOYSA-N 0 0 376.419 2.932 50 5 GFBARN