smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000109424913 728527544 /nfs/dbraw/zinc/52/75/44/728527544.db2.gz LFMYCNOIJGKZNQ-UHFFFAOYSA-N 0 1 365.411 2.779 10 5 FFBEMN CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1CCOC ZINC000117436141 728578421 /nfs/dbraw/zinc/57/84/21/728578421.db2.gz LNUKCFQBYYUVKM-ZDUSSCGKSA-N 0 1 370.837 2.823 10 5 FFBEMN CN(C)Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000301892237 258073186 /nfs/dbraw/zinc/07/31/86/258073186.db2.gz RXGXQOLOSZZSCL-UHFFFAOYSA-N 0 1 374.372 2.739 10 5 FFBEMN Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246323 508491535 /nfs/dbraw/zinc/49/15/35/508491535.db2.gz VJTXZCKLPOVSLQ-YJBOKZPZSA-N 0 1 368.437 2.939 10 5 FFBEMN Cn1cc(CN2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cn1 ZINC000153820559 508656283 /nfs/dbraw/zinc/65/62/83/508656283.db2.gz CGRLJTXPHIWZAM-UHFFFAOYSA-N 0 1 363.849 2.690 10 5 FFBEMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160784899 509032573 /nfs/dbraw/zinc/03/25/73/509032573.db2.gz OVXWGWJWVSCMSR-RDTXWAMCSA-N 0 1 358.398 2.772 10 5 FFBEMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000178971212 509208231 /nfs/dbraw/zinc/20/82/31/509208231.db2.gz LMUHPKDGLSXUGX-HIFRSBDPSA-N 0 1 358.398 2.609 10 5 FFBEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000191978254 509273715 /nfs/dbraw/zinc/27/37/15/509273715.db2.gz DXFWQBOUHYUOKD-UHFFFAOYSA-N 0 1 363.458 2.833 10 5 FFBEMN CCCc1[nH]nc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000180859048 510147999 /nfs/dbraw/zinc/14/79/99/510147999.db2.gz WBFMCPUYQXRLTR-UHFFFAOYSA-N 0 1 373.413 2.657 10 5 FFBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ccnn2CCO)CC1 ZINC000175148832 510504301 /nfs/dbraw/zinc/50/43/01/510504301.db2.gz BUDNRNROVXUYAP-UHFFFAOYSA-N 0 1 374.441 2.562 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2)n[nH]1 ZINC000103280266 250142061 /nfs/dbraw/zinc/14/20/61/250142061.db2.gz SVUPAXCBVIQQMW-OAHLLOKOSA-N 0 1 355.329 2.680 10 5 FFBEMN CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCOC ZINC000302039057 258083765 /nfs/dbraw/zinc/08/37/65/258083765.db2.gz VRYQHQKQRJFNMA-HNNXBMFYSA-N 0 1 358.442 2.998 10 5 FFBEMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000116253032 508493065 /nfs/dbraw/zinc/49/30/65/508493065.db2.gz UBVHTJNPPQNCFS-MAUKXSAKSA-N 0 1 368.437 2.939 10 5 FFBEMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCCC[C@H]2C1 ZINC000120882602 509082439 /nfs/dbraw/zinc/08/24/39/509082439.db2.gz BVRQMIYEWUMHIV-SFHVURJKSA-N 0 1 360.458 2.797 10 5 FFBEMN CCO[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178275 509146021 /nfs/dbraw/zinc/14/60/21/509146021.db2.gz JXSDWHOUTSKKMN-IRXDYDNUSA-N 0 1 361.442 2.863 10 5 FFBEMN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179345343 509389638 /nfs/dbraw/zinc/38/96/38/509389638.db2.gz XASWHDMUJRHLMR-HNNXBMFYSA-N 0 1 370.413 2.681 10 5 FFBEMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000192823299 509658612 /nfs/dbraw/zinc/65/86/12/509658612.db2.gz BUHRCUJPJUDSIP-CYBMUJFWSA-N 0 1 371.393 2.680 10 5 FFBEMN Cc1nc([C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCO2)n[nH]1 ZINC000180112731 509758809 /nfs/dbraw/zinc/75/88/09/509758809.db2.gz FXKGIKFDPKFTRR-KRWDZBQOSA-N 0 1 369.381 2.855 10 5 FFBEMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000177768400 729146273 /nfs/dbraw/zinc/14/62/73/729146273.db2.gz APMJXXZBZNWIBB-GXTWGEPZSA-N 0 1 366.849 2.745 10 5 FFBEMN O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1ccc2c(c1)OCO2 ZINC000040584088 205073709 /nfs/dbraw/zinc/07/37/09/205073709.db2.gz ZBKDPGCTFOBMAM-UHFFFAOYSA-N 0 1 352.310 2.996 10 5 FFBEMN CN(C)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000301676014 258062802 /nfs/dbraw/zinc/06/28/02/258062802.db2.gz PXDMZHALJUMZJZ-CQSZACIVSA-N 0 1 368.235 2.806 10 5 FFBEMN CC(C)c1nc2c(n1C)CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000112670910 508207632 /nfs/dbraw/zinc/20/76/32/508207632.db2.gz YDCYVZZSLPDKJS-UHFFFAOYSA-N 0 1 368.397 2.527 10 5 FFBEMN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250192 508491194 /nfs/dbraw/zinc/49/11/94/508491194.db2.gz IIYDYADCQVECAL-YJBOKZPZSA-N 0 1 368.437 2.939 10 5 FFBEMN CC[C@@H](NCC(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181530684 510457400 /nfs/dbraw/zinc/45/74/00/510457400.db2.gz RESGZBXPLYAGMW-GOSISDBHSA-N 0 1 357.410 2.961 10 5 FFBEMN CC[C@H](NCC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181549999 510467639 /nfs/dbraw/zinc/46/76/39/510467639.db2.gz LNRYNIUPHALHMU-SFHVURJKSA-N 0 1 357.410 2.831 10 5 FFBEMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247556169 510865673 /nfs/dbraw/zinc/86/56/73/510865673.db2.gz UBVHTJNPPQNCFS-QAPCUYQASA-N 0 1 368.437 2.939 10 5 FFBEMN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000247706337 510868943 /nfs/dbraw/zinc/86/89/43/510868943.db2.gz ZAGZKDCKGUFOMR-RYUDHWBXSA-N 0 1 370.837 2.557 10 5 FFBEMN CCc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000107703835 728517270 /nfs/dbraw/zinc/51/72/70/728517270.db2.gz FBOZULSTCYUVEG-UHFFFAOYSA-N 0 1 361.832 2.746 10 5 FFBEMN COc1ccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178013 250247655 /nfs/dbraw/zinc/24/76/55/250247655.db2.gz VIEGBMBWLQFGDR-MRXNPFEDSA-N 0 1 359.430 2.724 10 5 FFBEMN CC(C)[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C1 ZINC000155643667 509043166 /nfs/dbraw/zinc/04/31/66/509043166.db2.gz XCPBGJFGWSYHFW-HZMBPMFUSA-N 0 1 370.247 2.816 10 5 FFBEMN C[C@@H]1CN(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396299 506506805 /nfs/dbraw/zinc/50/68/05/506506805.db2.gz YYUJAQJEBXBGQS-GFCCVEGCSA-N 0 1 367.833 2.574 10 5 FFBEMN Cc1nc([C@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000068365134 507203175 /nfs/dbraw/zinc/20/31/75/507203175.db2.gz CTZPSIYPVDEQBL-DOJUMQAQSA-N 0 1 363.377 2.940 10 5 FFBEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000107254368 507839745 /nfs/dbraw/zinc/83/97/45/507839745.db2.gz OJNDQYAVGTWKGG-HNNXBMFYSA-N 0 1 368.397 2.799 10 5 FFBEMN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000113317959 508260621 /nfs/dbraw/zinc/26/06/21/508260621.db2.gz NRSGNVHCJRNCQK-CYBMUJFWSA-N 0 1 362.455 2.529 10 5 FFBEMN Cc1nc([C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)n[nH]1 ZINC000119667131 508839638 /nfs/dbraw/zinc/83/96/38/508839638.db2.gz BEBVXKJYMDLDFB-GOSISDBHSA-N 0 1 365.393 2.778 10 5 FFBEMN Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190543756 510194004 /nfs/dbraw/zinc/19/40/04/510194004.db2.gz NTCUTCMBTOELGF-AWEZNQCLSA-N 0 1 374.466 2.954 10 5 FFBEMN O=[N+]([O-])c1ccc(CNCCN2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000194259006 510282319 /nfs/dbraw/zinc/28/23/19/510282319.db2.gz XDGIITDMMOZVGZ-UHFFFAOYSA-N 0 1 362.411 2.712 10 5 FFBEMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000174849514 510343363 /nfs/dbraw/zinc/34/33/63/510343363.db2.gz QOWSCIQOELFSID-GOEBONIOSA-N 0 1 372.425 2.999 10 5 FFBEMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172410860 510711814 /nfs/dbraw/zinc/71/18/14/510711814.db2.gz CLYUGHZQTVICPJ-WCQYABFASA-N 0 1 358.398 2.907 10 5 FFBEMN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247152120 510845950 /nfs/dbraw/zinc/84/59/50/510845950.db2.gz IIYDYADCQVECAL-QAPCUYQASA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247258846 510854457 /nfs/dbraw/zinc/85/44/57/510854457.db2.gz QFQSEWKERRVCEL-WMLDXEAASA-N 0 1 354.410 2.630 10 5 FFBEMN O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000059383499 205281717 /nfs/dbraw/zinc/28/17/17/205281717.db2.gz BQZDVZXYLMCOBV-BAQGIRSFSA-N 0 1 361.354 2.966 10 5 FFBEMN O=C(CN1CCCC[C@H]1c1nnc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121809046 508423770 /nfs/dbraw/zinc/42/37/70/508423770.db2.gz VTNGPHLVKPMWOS-LBPRGKRZSA-N 0 1 364.793 2.532 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000116246934 508491519 /nfs/dbraw/zinc/49/15/19/508491519.db2.gz QHLGCPMRTSFGCB-KSSFIOAISA-N 0 1 354.410 2.630 10 5 FFBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116251825 508491790 /nfs/dbraw/zinc/49/17/90/508491790.db2.gz TVCVTHRMRMHYQR-HNAYVOBHSA-N 0 1 368.437 2.939 10 5 FFBEMN Cc1c(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124332915 508816789 /nfs/dbraw/zinc/81/67/89/508816789.db2.gz SVUZYNVGNNUZRK-CYBMUJFWSA-N 0 1 362.430 2.620 10 5 FFBEMN Cc1c(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124332915 508816793 /nfs/dbraw/zinc/81/67/93/508816793.db2.gz SVUZYNVGNNUZRK-CYBMUJFWSA-N 0 1 362.430 2.620 10 5 FFBEMN CC(C)CN1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000131408416 508927359 /nfs/dbraw/zinc/92/73/59/508927359.db2.gz FTGIHDICWMVOIB-CYBMUJFWSA-N 0 1 355.460 2.531 10 5 FFBEMN Cc1nc([C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000126548840 509094368 /nfs/dbraw/zinc/09/43/68/509094368.db2.gz DSHDGWQYZVKEMV-NSHDSACASA-N 0 1 358.185 2.906 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1CC ZINC000133435992 509159683 /nfs/dbraw/zinc/15/96/83/509159683.db2.gz BBZFSJVIKWUJPV-MRXNPFEDSA-N 0 1 364.446 2.868 10 5 FFBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245697324 510092750 /nfs/dbraw/zinc/09/27/50/510092750.db2.gz SJOKRMKIXGNPJR-RDTXWAMCSA-N 0 1 374.441 2.673 10 5 FFBEMN O=C(CN1CCCC[C@@H]1c1nnc[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121701661 728636686 /nfs/dbraw/zinc/63/66/86/728636686.db2.gz PUERIOYDQZHKDJ-CYBMUJFWSA-N 0 1 364.793 2.532 10 5 FFBEMN Cc1ccccc1[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000102683736 508281968 /nfs/dbraw/zinc/28/19/68/508281968.db2.gz TTWYFZNCMOJSCX-GFCCVEGCSA-N 0 1 357.366 2.921 10 5 FFBEMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248088198 509235123 /nfs/dbraw/zinc/23/51/23/509235123.db2.gz TUSHOFXSYZWVLP-IAGOWNOFSA-N 0 1 370.365 2.678 10 5 FFBEMN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCN(C2CC2)CC1 ZINC000192340895 509472901 /nfs/dbraw/zinc/47/29/01/509472901.db2.gz KTDSGDZWCZGGNC-UHFFFAOYSA-N 0 1 368.231 2.668 10 5 FFBEMN O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188989 510738595 /nfs/dbraw/zinc/73/85/95/510738595.db2.gz WMFFDRYFUDGBJM-JKSUJKDBSA-N 0 1 351.378 2.706 10 5 FFBEMN O=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1N1CCCC1 ZINC000040609056 205074456 /nfs/dbraw/zinc/07/44/56/205074456.db2.gz XLEOVOQYRGGTHD-UHFFFAOYSA-N 0 1 365.191 2.886 10 5 FFBEMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2ccnn2CCO)CC1 ZINC000092811124 250002330 /nfs/dbraw/zinc/00/23/30/250002330.db2.gz YEOFASBCEZFGKZ-HWKANZROSA-N 0 1 356.426 2.676 10 5 FFBEMN CCN1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000007107251 506533991 /nfs/dbraw/zinc/53/39/91/506533991.db2.gz JXPAKYMSWMPOKC-UHFFFAOYSA-N 0 1 354.410 2.989 10 5 FFBEMN Cc1nc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000057799000 507331313 /nfs/dbraw/zinc/33/13/13/507331313.db2.gz SPCAGBSVEKPFEC-INIZCTEOSA-N 0 1 351.366 2.849 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)c2ccccc2)n[nH]1 ZINC000104404483 508333843 /nfs/dbraw/zinc/33/38/43/508333843.db2.gz NIOBSWJQCCGIGA-MRXNPFEDSA-N 0 1 351.366 2.849 10 5 FFBEMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137948929 508767369 /nfs/dbraw/zinc/76/73/69/508767369.db2.gz RMDJGELDHCXJNN-CYBMUJFWSA-N 0 1 367.471 2.547 10 5 FFBEMN Cc1nc(CN2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182753725 509411607 /nfs/dbraw/zinc/41/16/07/509411607.db2.gz RXEYBIZPAUKUDX-AWEZNQCLSA-N 0 1 359.430 2.864 10 5 FFBEMN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2ccc(Cl)cc2F)cc1 ZINC000189344299 509529908 /nfs/dbraw/zinc/52/99/08/509529908.db2.gz OQIJLXZQXGLOFE-HOTGVXAUSA-N 0 1 354.765 2.571 10 5 FFBEMN CC(C)c1nc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000173595423 509666341 /nfs/dbraw/zinc/66/63/41/509666341.db2.gz GHPZGARRCPJYRL-ZDUSSCGKSA-N 0 1 370.369 2.955 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674189 510611766 /nfs/dbraw/zinc/61/17/66/510611766.db2.gz IFKFKLVHOQKDBI-HNAYVOBHSA-N 0 1 368.437 2.559 10 5 FFBEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000262553597 729668432 /nfs/dbraw/zinc/66/84/32/729668432.db2.gz VQDRSXKPQXMIMA-CQSZACIVSA-N 0 1 355.822 2.619 10 5 FFBEMN Cc1nc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000173532153 251200800 /nfs/dbraw/zinc/20/08/00/251200800.db2.gz YMMFXAPDKAOSIQ-HNNXBMFYSA-N 0 1 373.413 2.533 10 5 FFBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2nccs2)C1 ZINC000067047574 506736351 /nfs/dbraw/zinc/73/63/51/506736351.db2.gz VVVIEKXTWYMTRO-JTQLQIEISA-N 0 1 357.395 2.947 10 5 FFBEMN 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512910564 /nfs/dbraw/zinc/91/05/64/512910564.db2.gz MSGURGPKPUZPDO-GFCCVEGCSA-N 0 1 368.386 2.618 10 5 FFBEMN Cc1ccc(N2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000093151347 250021234 /nfs/dbraw/zinc/02/12/34/250021234.db2.gz XBGSCZDDUJNCJC-QPJJXVBHSA-N 0 1 353.426 2.919 10 5 FFBEMN Cc1nc([C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000151183351 508973751 /nfs/dbraw/zinc/97/37/51/508973751.db2.gz NDRDSNGKMPGSQB-GOSISDBHSA-N 0 1 365.393 2.860 10 5 FFBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248760801 509474032 /nfs/dbraw/zinc/47/40/32/509474032.db2.gz JOOOIYZFZJBGPL-WBVHZDCISA-N 0 1 368.437 2.939 10 5 FFBEMN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179503492 509483495 /nfs/dbraw/zinc/48/34/95/509483495.db2.gz POPQPVAJXLERFW-VMLCMGRWSA-N 0 1 367.449 2.959 10 5 FFBEMN C[C@H](N[C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669148 509917462 /nfs/dbraw/zinc/91/74/62/509917462.db2.gz DFPLLKVXPUPVTR-MEDUHNTESA-N 0 1 363.801 2.898 10 5 FFBEMN CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1CCOC ZINC000117436137 728578440 /nfs/dbraw/zinc/57/84/40/728578440.db2.gz LNUKCFQBYYUVKM-CYBMUJFWSA-N 0 1 370.837 2.823 10 5 FFBEMN Cn1cc([C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153929980 508679526 /nfs/dbraw/zinc/67/95/26/508679526.db2.gz HKVGBDSBYMQRFG-CQSZACIVSA-N 0 1 353.382 2.973 10 5 FFBEMN CCc1nc([C@H]2CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000129210469 508698815 /nfs/dbraw/zinc/69/88/15/508698815.db2.gz DGHNRKVMRKKSMH-MRXNPFEDSA-N 0 1 359.430 2.972 10 5 FFBEMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179339713 509386692 /nfs/dbraw/zinc/38/66/92/509386692.db2.gz SMZBXQSOGLRTQE-CQSZACIVSA-N 0 1 356.386 2.655 10 5 FFBEMN O=C(c1cc(N2CCN3CCCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264916566 509774159 /nfs/dbraw/zinc/77/41/59/509774159.db2.gz KWSPIBNGHIXGSI-INIZCTEOSA-N 0 1 358.442 2.505 10 5 FFBEMN 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ANWBGMWELSQOIG-UHFFFAOYSA-N 0 1 371.328 2.596 10 5 FFBEMN Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n[nH]1 ZINC000104404418 508334026 /nfs/dbraw/zinc/33/40/26/508334026.db2.gz FPAPNRUJHVBPAZ-INIZCTEOSA-N 0 1 351.366 2.849 10 5 FFBEMN Cc1cc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000153611661 508607450 /nfs/dbraw/zinc/60/74/50/508607450.db2.gz YZQDVDLZXNFJTK-CQSZACIVSA-N 0 1 362.430 2.620 10 5 FFBEMN COc1ccc2oc(CN[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583989 509003111 /nfs/dbraw/zinc/00/31/11/509003111.db2.gz LDAVYDVIKHRZCZ-MJGOQNOKSA-N 0 1 372.377 2.534 10 5 FFBEMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCCC[C@@H]2C1 ZINC000120882448 509082785 /nfs/dbraw/zinc/08/27/85/509082785.db2.gz BVRQMIYEWUMHIV-GOSISDBHSA-N 0 1 360.458 2.797 10 5 FFBEMN C[C@H](O)C[N@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000245690661 510088303 /nfs/dbraw/zinc/08/83/03/510088303.db2.gz BHFQKKAFUHLNOQ-CABCVRRESA-N 0 1 359.426 2.742 10 5 FFBEMN Cc1csc([C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328083 510786978 /nfs/dbraw/zinc/78/69/78/510786978.db2.gz MNLDOUIKEKSRTM-CQSZACIVSA-N 0 1 360.439 2.838 10 5 FFBEMN COc1ccccc1[C@H](C[N+](=O)[O-])c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000584655842 518418956 /nfs/dbraw/zinc/41/89/56/518418956.db2.gz UPUSYXVOTXZFHK-INIZCTEOSA-N 0 1 353.378 2.891 10 5 FFBEMN CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1CCOC ZINC000153542888 508594024 /nfs/dbraw/zinc/59/40/24/508594024.db2.gz RAZFFVUNYDNSFH-QGZVFWFLSA-N 0 1 374.441 2.792 10 5 FFBEMN CC[C@H](O)CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000123559323 508705966 /nfs/dbraw/zinc/70/59/66/508705966.db2.gz LISPMDDRYDMONR-KRWDZBQOSA-N 0 1 359.426 2.743 10 5 FFBEMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000155643552 509043450 /nfs/dbraw/zinc/04/34/50/509043450.db2.gz XCPBGJFGWSYHFW-YGRLFVJLSA-N 0 1 370.247 2.816 10 5 FFBEMN CC[C@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357668 509193529 /nfs/dbraw/zinc/19/35/29/509193529.db2.gz KRODVNBJUUHTMO-DLBZAZTESA-N 0 1 371.441 2.873 10 5 FFBEMN CCN(CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000192240651 509421164 /nfs/dbraw/zinc/42/11/64/509421164.db2.gz KAXYPWMBHZOIAP-UHFFFAOYSA-N 0 1 364.446 2.622 10 5 FFBEMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000176382769 509478573 /nfs/dbraw/zinc/47/85/73/509478573.db2.gz YSQADDOQPOMRFH-LLVKDONJSA-N 0 1 374.397 2.527 10 5 FFBEMN CCn1cc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183333269 509722956 /nfs/dbraw/zinc/72/29/56/509722956.db2.gz LMMAKNKDYUEJEH-UHFFFAOYSA-N 0 1 357.458 2.828 10 5 FFBEMN Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899646 510195900 /nfs/dbraw/zinc/19/59/00/510195900.db2.gz AQEZSAOLUPZNHS-CXAGYDPISA-N 0 1 357.414 2.591 10 5 FFBEMN O=[N+]([O-])c1cc(CN2CC[C@H](CNc3ccccn3)C2)c2c(c1)COCO2 ZINC000171646850 510274406 /nfs/dbraw/zinc/27/44/06/510274406.db2.gz HXTUGTYPLQLXPD-CQSZACIVSA-N 0 1 370.409 2.790 10 5 FFBEMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1CCOC ZINC000174737310 510280002 /nfs/dbraw/zinc/28/00/02/510280002.db2.gz RFKPLMDUZUMKJY-GFCCVEGCSA-N 0 1 359.373 2.743 10 5 FFBEMN CC[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000301598450 258058010 /nfs/dbraw/zinc/05/80/10/258058010.db2.gz TYIIMYGVEGJWSE-MNOVXSKESA-N 0 1 355.236 2.815 10 5 FFBEMN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCN(C2CC2)CC1 ZINC000061605243 507627528 /nfs/dbraw/zinc/62/75/28/507627528.db2.gz IFSPINWGQHPROC-UHFFFAOYSA-N 0 1 358.442 2.505 10 5 FFBEMN COc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC ZINC000072236773 507770702 /nfs/dbraw/zinc/77/07/02/507770702.db2.gz YNFJHARKAWNGRA-UHFFFAOYSA-N 0 1 356.338 2.976 10 5 FFBEMN O=C1C[C@H](c2cc(F)c(F)cc2F)C([N+](=O)[O-])C[C@H]1Br ZINC000147264770 508856932 /nfs/dbraw/zinc/85/69/32/508856932.db2.gz WSNIAUNJAGSQMC-OPVBNTEQSA-N 0 1 352.106 2.959 10 5 FFBEMN CCN1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182641952 509346956 /nfs/dbraw/zinc/34/69/56/509346956.db2.gz OTXONTMVUPLZOP-GFCCVEGCSA-N 0 1 357.863 2.941 10 5 FFBEMN COc1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245701454 510095153 /nfs/dbraw/zinc/09/51/53/510095153.db2.gz DDYXNEYRCSBFPA-KSSFIOAISA-N 0 1 350.415 2.739 10 5 FFBEMN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1CCOC ZINC000174737321 510280099 /nfs/dbraw/zinc/28/00/99/510280099.db2.gz RFKPLMDUZUMKJY-LBPRGKRZSA-N 0 1 359.373 2.743 10 5 FFBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000194720197 510493780 /nfs/dbraw/zinc/49/37/80/510493780.db2.gz JOOOIYZFZJBGPL-RDJZCZTQSA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302021220 258082411 /nfs/dbraw/zinc/08/24/11/258082411.db2.gz FJTJOBPXBQLVJH-INIZCTEOSA-N 0 1 370.453 2.710 10 5 FFBEMN CNC(=O)c1ccc(N[C@@H](c2n[nH]c(C)n2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000057840038 507339853 /nfs/dbraw/zinc/33/98/53/507339853.db2.gz LEVCDGZOMIAHPH-MRXNPFEDSA-N 0 1 366.381 2.582 10 5 FFBEMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)co2)cc1 ZINC000089901666 507881377 /nfs/dbraw/zinc/88/13/77/507881377.db2.gz MJEQIKIQWBRFRZ-AWEZNQCLSA-N 0 1 368.397 2.754 10 5 FFBEMN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116250188 508491102 /nfs/dbraw/zinc/49/11/02/508491102.db2.gz IIYDYADCQVECAL-MAUKXSAKSA-N 0 1 368.437 2.939 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1CC ZINC000133436171 509159481 /nfs/dbraw/zinc/15/94/81/509159481.db2.gz BBZFSJVIKWUJPV-INIZCTEOSA-N 0 1 364.446 2.868 10 5 FFBEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336549 509182169 /nfs/dbraw/zinc/18/21/69/509182169.db2.gz KYUWSCCBDBPIIW-ZBFHGGJFSA-N 0 1 371.441 2.791 10 5 FFBEMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000172410871 510711841 /nfs/dbraw/zinc/71/18/41/510711841.db2.gz CLYUGHZQTVICPJ-YPMHNXCESA-N 0 1 358.398 2.907 10 5 FFBEMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183070 513017157 /nfs/dbraw/zinc/01/71/57/513017157.db2.gz NUCRAUOYUZUFRK-RDJZCZTQSA-N 0 1 372.469 2.894 10 5 FFBEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000708522058 977431642 /nfs/dbraw/zinc/43/16/42/977431642.db2.gz GSJNGFUYTYJATH-BBRMVZONSA-N 0 1 370.409 2.868 10 5 FFBEMN CCN(CC(=O)OC(C)(C)C)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192551128 251288576 /nfs/dbraw/zinc/28/85/76/251288576.db2.gz CKNGVUBRTXXLLG-UHFFFAOYSA-N 0 1 370.475 2.684 10 5 FFBEMN COCCN1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000301238604 258036028 /nfs/dbraw/zinc/03/60/28/258036028.db2.gz NHBCEKHHQJKCHB-HNNXBMFYSA-N 0 1 371.441 2.517 10 5 FFBEMN Cc1cc(NC[C@H](c2cnn(C)c2)N(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987045 258080305 /nfs/dbraw/zinc/08/03/05/258080305.db2.gz DEMDYRRRYSWKDH-QGZVFWFLSA-N 0 1 354.414 2.900 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000057799001 507331526 /nfs/dbraw/zinc/33/15/26/507331526.db2.gz SPCAGBSVEKPFEC-MRXNPFEDSA-N 0 1 351.366 2.849 10 5 FFBEMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccncc2)CC1 ZINC000058496549 507428053 /nfs/dbraw/zinc/42/80/53/507428053.db2.gz JNSUMQHRHZRQBF-SNAWJCMRSA-N 0 1 366.421 2.784 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1CC ZINC000133638060 508428192 /nfs/dbraw/zinc/42/81/92/508428192.db2.gz UKSJRFAWHHEPEA-HNNXBMFYSA-N 0 1 364.446 2.868 10 5 FFBEMN COc1cc(CN2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000122081968 508478952 /nfs/dbraw/zinc/47/89/52/508478952.db2.gz JTRCWXSEYGYAAP-UHFFFAOYSA-N 0 1 360.414 2.721 10 5 FFBEMN CCOCCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1CC ZINC000116767767 508558578 /nfs/dbraw/zinc/55/85/78/508558578.db2.gz AKSKCXCKXSLOCO-CQSZACIVSA-N 0 1 374.441 2.649 10 5 FFBEMN CCc1[nH]nc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000178971219 509208352 /nfs/dbraw/zinc/20/83/52/509208352.db2.gz LMUHPKDGLSXUGX-ZFWWWQNUSA-N 0 1 358.398 2.609 10 5 FFBEMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000248134421 509243162 /nfs/dbraw/zinc/24/31/62/509243162.db2.gz OVXWGWJWVSCMSR-KBXCAEBGSA-N 0 1 358.398 2.772 10 5 FFBEMN CN(c1cccnn1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255368463 509924560 /nfs/dbraw/zinc/92/45/60/509924560.db2.gz ZKFLJTUNMJBEGS-ALCCZGGFSA-N 0 1 353.426 2.999 10 5 FFBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000194160899 510242981 /nfs/dbraw/zinc/24/29/81/510242981.db2.gz QTYXNCGFDWCPOM-GFCCVEGCSA-N 0 1 352.343 2.536 10 5 FFBEMN Cc1nc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n[nH]1 ZINC000068365120 507204013 /nfs/dbraw/zinc/20/40/13/507204013.db2.gz XEBVHNQSZPGTGM-INIZCTEOSA-N 0 1 351.366 2.849 10 5 FFBEMN CCCc1[nH]nc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000109672087 507978690 /nfs/dbraw/zinc/97/86/90/507978690.db2.gz GCNLCRGXZFLDRK-ZDUSSCGKSA-N 0 1 360.418 2.598 10 5 FFBEMN Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000116246319 508491053 /nfs/dbraw/zinc/49/10/53/508491053.db2.gz VJTXZCKLPOVSLQ-MAUKXSAKSA-N 0 1 368.437 2.939 10 5 FFBEMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000158975636 508776015 /nfs/dbraw/zinc/77/60/15/508776015.db2.gz JENMWUKUBKCEMP-UHFFFAOYSA-N 0 1 357.345 2.624 10 5 FFBEMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(O)CCCC[C@H]4C3)o2)cc1 ZINC000248134425 509244154 /nfs/dbraw/zinc/24/41/54/509244154.db2.gz OVXWGWJWVSCMSR-KSSFIOAISA-N 0 1 358.398 2.772 10 5 FFBEMN Cc1cccc(NC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)n1 ZINC000171365506 510108426 /nfs/dbraw/zinc/10/84/26/510108426.db2.gz YCVDTXPDSNBJSP-LBPRGKRZSA-N 0 1 358.427 2.946 10 5 FFBEMN COc1cc(C(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000103280552 250143342 /nfs/dbraw/zinc/14/33/42/250143342.db2.gz FLECWJWEPNTXJD-MRXNPFEDSA-N 0 1 367.365 2.549 10 5 FFBEMN CC(C)c1nc2c(n1C)CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000106373576 250268468 /nfs/dbraw/zinc/26/84/68/250268468.db2.gz NFCZZZVQEWFIRQ-UHFFFAOYSA-N 0 1 371.441 2.839 10 5 FFBEMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181192260 251255418 /nfs/dbraw/zinc/25/54/18/251255418.db2.gz FYRIHCBGDJFAMY-SMDDNHRTSA-N 0 1 361.427 2.947 10 5 FFBEMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181192276 251255649 /nfs/dbraw/zinc/25/56/49/251255649.db2.gz FYRIHCBGDJFAMY-BXUZGUMPSA-N 0 1 361.427 2.947 10 5 FFBEMN COCCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000106107051 508394046 /nfs/dbraw/zinc/39/40/46/508394046.db2.gz TUWAUKQHUJJPCG-OAHLLOKOSA-N 0 1 351.447 2.535 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1CC ZINC000119737391 508853085 /nfs/dbraw/zinc/85/30/85/508853085.db2.gz HVEDOLNUSXSOIM-HNNXBMFYSA-N 0 1 364.446 2.868 10 5 FFBEMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000120601574 509029238 /nfs/dbraw/zinc/02/92/38/509029238.db2.gz BHFQKKAFUHLNOQ-LSDHHAIUSA-N 0 1 359.426 2.742 10 5 FFBEMN C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ccnc(N)c1[N+](=O)[O-] ZINC000217511415 509270304 /nfs/dbraw/zinc/27/03/04/509270304.db2.gz JATAAJRHZLGAFY-PBHICJAKSA-N 0 1 355.442 2.919 10 5 FFBEMN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@@H](C)O ZINC000173271294 509493142 /nfs/dbraw/zinc/49/31/42/509493142.db2.gz ZAGZKDCKGUFOMR-VXGBXAGGSA-N 0 1 370.837 2.557 10 5 FFBEMN Cc1nc([C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCO2)n[nH]1 ZINC000180110600 509758770 /nfs/dbraw/zinc/75/87/70/509758770.db2.gz WHOJKXSGZZSJFF-QGZVFWFLSA-N 0 1 369.381 2.855 10 5 FFBEMN C[C@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000245729677 510111118 /nfs/dbraw/zinc/11/11/18/510111118.db2.gz JLMMSKSLMLDXEZ-CABCVRRESA-N 0 1 359.426 2.742 10 5 FFBEMN Cc1cccc(NC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000171653036 510283937 /nfs/dbraw/zinc/28/39/37/510283937.db2.gz IPNAAFMTPAPPKD-OAHLLOKOSA-N 0 1 369.425 2.671 10 5 FFBEMN CCCc1[nH]nc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000174849486 510343207 /nfs/dbraw/zinc/34/32/07/510343207.db2.gz QOWSCIQOELFSID-ZBFHGGJFSA-N 0 1 372.425 2.999 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247259087 510854454 /nfs/dbraw/zinc/85/44/54/510854454.db2.gz QHLGCPMRTSFGCB-RDTXWAMCSA-N 0 1 354.410 2.630 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247259078 510854512 /nfs/dbraw/zinc/85/45/12/510854512.db2.gz QHLGCPMRTSFGCB-KBXCAEBGSA-N 0 1 354.410 2.630 10 5 FFBEMN Cc1nc([C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000173532168 251200257 /nfs/dbraw/zinc/20/02/57/251200257.db2.gz YMMFXAPDKAOSIQ-OAHLLOKOSA-N 0 1 373.413 2.533 10 5 FFBEMN O=c1[nH]cnc2cc(NCCc3nc4ccc(F)cc4[nH]3)c([N+](=O)[O-])cc12 ZINC000301725527 258064865 /nfs/dbraw/zinc/06/48/65/258064865.db2.gz PTCZJCYXDDHJJG-UHFFFAOYSA-N 0 1 368.328 2.914 10 5 FFBEMN CN(C)C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000108951949 507928023 /nfs/dbraw/zinc/92/80/23/507928023.db2.gz LCYAVXWFZDTTIH-QGZVFWFLSA-N 0 1 369.421 2.593 10 5 FFBEMN CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1CCOC ZINC000153542983 508594177 /nfs/dbraw/zinc/59/41/77/508594177.db2.gz RAZFFVUNYDNSFH-KRWDZBQOSA-N 0 1 374.441 2.792 10 5 FFBEMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Br ZINC000181567300 510477477 /nfs/dbraw/zinc/47/74/77/510477477.db2.gz NCIWMAWGZAVBNR-NSHDSACASA-N 0 1 366.215 2.870 10 5 FFBEMN COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175098248 510482126 /nfs/dbraw/zinc/48/21/26/510482126.db2.gz SSQBORPPMACPFO-HXUWFJFHSA-N 0 1 371.437 2.597 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480931 510512680 /nfs/dbraw/zinc/51/26/80/510512680.db2.gz HLOXSIZZMBOMHU-CXAGYDPISA-N 0 1 372.400 2.769 10 5 FFBEMN CCc1csc([C@@H]2CCCN(C(=O)c3n[nH]c(CC)c3[N+](=O)[O-])C2)n1 ZINC000172164056 510578327 /nfs/dbraw/zinc/57/83/27/510578327.db2.gz CTKLBVVGPMUOBW-SNVBAGLBSA-N 0 1 363.443 2.919 10 5 FFBEMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172921 510848390 /nfs/dbraw/zinc/84/83/90/510848390.db2.gz JQXPSHBOZXCIFV-DNVCBOLYSA-N 0 1 368.437 2.939 10 5 FFBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247288826 510855658 /nfs/dbraw/zinc/85/56/58/510855658.db2.gz TVCVTHRMRMHYQR-BEFAXECRSA-N 0 1 368.437 2.939 10 5 FFBEMN Cc1nc([C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000103279795 250142533 /nfs/dbraw/zinc/14/25/33/250142533.db2.gz QOGLZLKXPPXTQR-INIZCTEOSA-N 0 1 351.366 2.849 10 5 FFBEMN COC(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nc[nH]n3)CC2)cc1Cl ZINC000129197788 508696768 /nfs/dbraw/zinc/69/67/68/508696768.db2.gz LUJFTKFTDWUVNV-UHFFFAOYSA-N 0 1 365.777 2.537 10 5 FFBEMN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000191977395 509273828 /nfs/dbraw/zinc/27/38/28/509273828.db2.gz ALBXBVVHORWEDM-UHFFFAOYSA-N 0 1 363.458 2.833 10 5 FFBEMN COc1ccc(CNCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000185766625 509345024 /nfs/dbraw/zinc/34/50/24/509345024.db2.gz JUTDMGQXGFSEJI-UHFFFAOYSA-N 0 1 369.381 2.590 10 5 FFBEMN CCOc1ccc([C@@H](C)NCc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000179400511 509423169 /nfs/dbraw/zinc/42/31/69/509423169.db2.gz FLAOGZKIJBHVAG-CYBMUJFWSA-N 0 1 368.397 2.820 10 5 FFBEMN C[C@@H](N[C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000183669169 509917498 /nfs/dbraw/zinc/91/74/98/509917498.db2.gz DFPLLKVXPUPVTR-BDJLRTHQSA-N 0 1 363.801 2.898 10 5 FFBEMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CN(C)C2 ZINC000194519455 510406901 /nfs/dbraw/zinc/40/69/01/510406901.db2.gz UWPKVRXVEKLDFV-GFCCVEGCSA-N 0 1 370.409 2.988 10 5 FFBEMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247284121 510855519 /nfs/dbraw/zinc/85/55/19/510855519.db2.gz SPACSSLXGRKBTK-BEFAXECRSA-N 0 1 368.437 2.939 10 5 FFBEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263556217 729692073 /nfs/dbraw/zinc/69/20/73/729692073.db2.gz OLOOUJVSJXHAJL-UHFFFAOYSA-N 0 1 353.806 2.988 10 5 FFBEMN Cn1cc(CN2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121549218 509178197 /nfs/dbraw/zinc/17/81/97/509178197.db2.gz HFEYTTZLYNCELM-QPJJXVBHSA-N 0 1 355.442 2.549 10 5 FFBEMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182344980 509187169 /nfs/dbraw/zinc/18/71/69/509187169.db2.gz NMPMFBJJSPUKLK-GOEBONIOSA-N 0 1 371.441 2.791 10 5 FFBEMN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000195506771 509199290 /nfs/dbraw/zinc/19/92/90/509199290.db2.gz GZWDRSOIKGANST-UHFFFAOYSA-N 0 1 363.805 2.789 10 5 FFBEMN CNc1ccc(C(O)=C2c3ccccc3N(C(C)=O)C2=O)cc1[N+](=O)[O-] ZINC000204209597 509235311 /nfs/dbraw/zinc/23/53/11/509235311.db2.gz YYTFFZCEAXSMBR-MSUUIHNZSA-N 0 1 353.334 2.956 10 5 FFBEMN Cn1nc2c(cc1=O)CN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000172797079 509241826 /nfs/dbraw/zinc/24/18/26/509241826.db2.gz CVTMCKKMAWFRHV-UHFFFAOYSA-N 0 1 373.412 2.598 10 5 FFBEMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982496 509797903 /nfs/dbraw/zinc/79/79/03/509797903.db2.gz OKWIJAKODONZLP-GFCCVEGCSA-N 0 1 367.471 2.882 10 5 FFBEMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177052077 509841393 /nfs/dbraw/zinc/84/13/93/509841393.db2.gz XBNDBDDMMDFLID-AWEZNQCLSA-N 0 1 368.397 2.627 10 5 FFBEMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177052058 509842529 /nfs/dbraw/zinc/84/25/29/509842529.db2.gz XBNDBDDMMDFLID-CQSZACIVSA-N 0 1 368.397 2.627 10 5 FFBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000194720182 510494451 /nfs/dbraw/zinc/49/44/51/510494451.db2.gz JOOOIYZFZJBGPL-DOTOQJQBSA-N 0 1 368.437 2.939 10 5 FFBEMN CN(C)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000301676013 258062735 /nfs/dbraw/zinc/06/27/35/258062735.db2.gz PXDMZHALJUMZJZ-AWEZNQCLSA-N 0 1 368.235 2.806 10 5 FFBEMN COc1ccccc1CCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000104458827 508335428 /nfs/dbraw/zinc/33/54/28/508335428.db2.gz NNYPGTACPHXYHW-UHFFFAOYSA-N 0 1 354.366 2.794 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134364179 508524806 /nfs/dbraw/zinc/52/48/06/508524806.db2.gz HLOXSIZZMBOMHU-DYVFJYSZSA-N 0 1 372.400 2.769 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134364200 508524905 /nfs/dbraw/zinc/52/49/05/508524905.db2.gz HLOXSIZZMBOMHU-GUYCJALGSA-N 0 1 372.400 2.769 10 5 FFBEMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1 ZINC000160785033 509032494 /nfs/dbraw/zinc/03/24/94/509032494.db2.gz OVXWGWJWVSCMSR-KDOFPFPSSA-N 0 1 358.398 2.772 10 5 FFBEMN CCOCCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CC ZINC000177055203 509844918 /nfs/dbraw/zinc/84/49/18/509844918.db2.gz WKCBPVDUWYIGKM-AWEZNQCLSA-N 0 1 362.430 2.669 10 5 FFBEMN CC[C@H](NCC(=O)NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181530663 510457896 /nfs/dbraw/zinc/45/78/96/510457896.db2.gz RESGZBXPLYAGMW-SFHVURJKSA-N 0 1 357.410 2.961 10 5 FFBEMN CN(C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000301265310 258038388 /nfs/dbraw/zinc/03/83/88/258038388.db2.gz FESJIMHROMXYPB-CQSZACIVSA-N 0 1 368.235 2.806 10 5 FFBEMN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178101 509145718 /nfs/dbraw/zinc/14/57/18/509145718.db2.gz JXSDWHOUTSKKMN-DLBZAZTESA-N 0 1 361.442 2.863 10 5 FFBEMN O=C(CCN1CCO[C@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248505959 509346040 /nfs/dbraw/zinc/34/60/40/509346040.db2.gz WMFFDRYFUDGBJM-CVEARBPZSA-N 0 1 351.378 2.706 10 5 FFBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566596 510476646 /nfs/dbraw/zinc/47/66/46/510476646.db2.gz PHWOIAULMWPSTL-OLZOCXBDSA-N 0 1 363.439 2.962 10 5 FFBEMN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2CCCC[C@@H]2C1 ZINC000195042182 510644688 /nfs/dbraw/zinc/64/46/88/510644688.db2.gz OVUAUBJCQAUYDP-QGZVFWFLSA-N 0 1 372.469 2.508 10 5 FFBEMN CCOCCN1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1CC ZINC000175099725 729087048 /nfs/dbraw/zinc/08/70/48/729087048.db2.gz BOHFLPOGOLPLOD-INIZCTEOSA-N 0 1 351.447 2.678 10 5 FFBEMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000103456447 250150724 /nfs/dbraw/zinc/15/07/24/250150724.db2.gz APSQKZIWLCKSJQ-UHFFFAOYSA-N 0 1 373.394 2.688 10 5 FFBEMN COc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])c(C)s3)n[nH]2)cc1 ZINC000103456447 250150729 /nfs/dbraw/zinc/15/07/29/250150729.db2.gz APSQKZIWLCKSJQ-UHFFFAOYSA-N 0 1 373.394 2.688 10 5 FFBEMN Cc1ccc([C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CCO2)o1 ZINC000127422260 508447821 /nfs/dbraw/zinc/44/78/21/508447821.db2.gz XOCFLDVFVKNVRJ-OAHLLOKOSA-N 0 1 356.338 2.586 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244163 508490931 /nfs/dbraw/zinc/49/09/31/508490931.db2.gz DVUOHMSTOBEKOK-QAPCUYQASA-N 0 1 368.437 2.559 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1CC ZINC000119667396 508840085 /nfs/dbraw/zinc/84/00/85/508840085.db2.gz REFBLKKHZKSQSL-HNNXBMFYSA-N 0 1 364.446 2.868 10 5 FFBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000182754445 509410916 /nfs/dbraw/zinc/41/09/16/509410916.db2.gz ROHMEAGGGGGCSH-INIZCTEOSA-N 0 1 357.458 2.906 10 5 FFBEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000263532257 729691631 /nfs/dbraw/zinc/69/16/31/729691631.db2.gz XFXFWKGDWULNFM-UHFFFAOYSA-N 0 1 367.833 2.665 10 5 FFBEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000708523706 977432983 /nfs/dbraw/zinc/43/29/83/977432983.db2.gz OUXIKKQDSJXHHT-DZGCQCFKSA-N 0 1 370.409 2.868 10 5 FFBEMN Nc1ccc2n(C(=O)[C@@H](N)Cc3ccccc3)c3ccccc3cc-2c1=O ZINC000098087634 222227663 /nfs/dbraw/zinc/22/76/63/222227663.db2.gz FCLWGDAUBNVAFT-SFHVURJKSA-N 0 1 357.413 2.899 10 5 FFBEMN O=C(CN1CCCC[C@@H]1c1nnc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121808889 508423820 /nfs/dbraw/zinc/42/38/20/508423820.db2.gz VTNGPHLVKPMWOS-GFCCVEGCSA-N 0 1 364.793 2.532 10 5 FFBEMN CC[C@@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000123535648 508701821 /nfs/dbraw/zinc/70/18/21/508701821.db2.gz IZFZMQGBVDVOHG-OAHLLOKOSA-N 0 1 359.426 2.743 10 5 FFBEMN C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000137002523 508732033 /nfs/dbraw/zinc/73/20/33/508732033.db2.gz RQSNYCNFOCEYIL-LBPRGKRZSA-N 0 1 367.833 2.574 10 5 FFBEMN CCOCCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1CC ZINC000125516178 508993682 /nfs/dbraw/zinc/99/36/82/508993682.db2.gz YAPPVXNQDWRZKY-CYBMUJFWSA-N 0 1 355.410 2.680 10 5 FFBEMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336506 509181915 /nfs/dbraw/zinc/18/19/15/509181915.db2.gz KYUWSCCBDBPIIW-GDBMZVCRSA-N 0 1 371.441 2.791 10 5 FFBEMN CCc1nc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CCO2)n[nH]1 ZINC000173686839 509720936 /nfs/dbraw/zinc/72/09/36/509720936.db2.gz ZQMKMFDRBPOVSW-ZDUSSCGKSA-N 0 1 351.794 2.502 10 5 FFBEMN CC[C@@H](NCC(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181549733 510468114 /nfs/dbraw/zinc/46/81/14/510468114.db2.gz MAHVCVFEQCDGHK-QGZVFWFLSA-N 0 1 357.410 2.961 10 5 FFBEMN CCN1CCC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377123 507765144 /nfs/dbraw/zinc/76/51/44/507765144.db2.gz IWRAMYLFKQUGGL-CYBMUJFWSA-N 0 1 360.439 2.932 10 5 FFBEMN CN(c1cccnn1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093272457 508131612 /nfs/dbraw/zinc/13/16/12/508131612.db2.gz ZKFLJTUNMJBEGS-FNORWQNLSA-N 0 1 353.426 2.999 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1CC ZINC000133637853 508427875 /nfs/dbraw/zinc/42/78/75/508427875.db2.gz UKSJRFAWHHEPEA-OAHLLOKOSA-N 0 1 364.446 2.868 10 5 FFBEMN CCCn1cc(CN2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cn1 ZINC000266804732 509203296 /nfs/dbraw/zinc/20/32/96/509203296.db2.gz CXMOSZOJYXNKBS-UHFFFAOYSA-N 0 1 358.446 2.617 10 5 FFBEMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000178971231 509208881 /nfs/dbraw/zinc/20/88/81/509208881.db2.gz LMUHPKDGLSXUGX-UKRRQHHQSA-N 0 1 358.398 2.609 10 5 FFBEMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000194160913 510243602 /nfs/dbraw/zinc/24/36/02/510243602.db2.gz QTYXNCGFDWCPOM-LBPRGKRZSA-N 0 1 352.343 2.536 10 5 FFBEMN CCn1cc(CN2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 ZINC000106158234 250245619 /nfs/dbraw/zinc/24/56/19/250245619.db2.gz SBTQJRSPJVGYLP-UHFFFAOYSA-N 0 1 373.457 2.528 10 5 FFBEMN COc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000045388882 506960064 /nfs/dbraw/zinc/96/00/64/506960064.db2.gz OVHYFNLRDDPMAJ-JTQLQIEISA-N 0 1 370.365 2.979 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251621 508491805 /nfs/dbraw/zinc/49/18/05/508491805.db2.gz SEQVZCBCLFGJPB-OCCSQVGLSA-N 0 1 360.439 2.692 10 5 FFBEMN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000116250325 508492207 /nfs/dbraw/zinc/49/22/07/508492207.db2.gz XRJMBPDFAKXKAH-KSSFIOAISA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000120614797 509031732 /nfs/dbraw/zinc/03/17/32/509031732.db2.gz JLMMSKSLMLDXEZ-LSDHHAIUSA-N 0 1 359.426 2.742 10 5 FFBEMN Cc1ccc(CNCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000185753331 509339636 /nfs/dbraw/zinc/33/96/36/509339636.db2.gz MXHORVNDMCAABK-UHFFFAOYSA-N 0 1 353.382 2.890 10 5 FFBEMN CC(C)c1nc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000173595443 509666196 /nfs/dbraw/zinc/66/61/96/509666196.db2.gz GHPZGARRCPJYRL-CYBMUJFWSA-N 0 1 370.369 2.955 10 5 FFBEMN Cc1csc([C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195328091 510786750 /nfs/dbraw/zinc/78/67/50/510786750.db2.gz MNLDOUIKEKSRTM-AWEZNQCLSA-N 0 1 360.439 2.838 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247093625 510833446 /nfs/dbraw/zinc/83/34/46/510833446.db2.gz DVUOHMSTOBEKOK-CRAIPNDOSA-N 0 1 368.437 2.559 10 5 FFBEMN Cc1nc([C@H](NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000104403602 250177155 /nfs/dbraw/zinc/17/71/55/250177155.db2.gz QUNMFYAVRHAJEF-ZPHJMFTNSA-N 0 1 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509368021 /nfs/dbraw/zinc/36/80/21/509368021.db2.gz SPNPUGHZZYMVES-GFCCVEGCSA-N 0 1 364.793 2.532 10 5 FFBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247288834 510855641 /nfs/dbraw/zinc/85/56/41/510855641.db2.gz TVCVTHRMRMHYQR-DNVCBOLYSA-N 0 1 368.437 2.939 10 5 FFBEMN CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000175298778 729093022 /nfs/dbraw/zinc/09/30/22/729093022.db2.gz HIDNWTBANHAVTC-DGCLKSJQSA-N 0 1 370.837 2.557 10 5 FFBEMN Cc1nc([C@@H](NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 ZINC000104403603 250176287 /nfs/dbraw/zinc/17/62/87/250176287.db2.gz QUNMFYAVRHAJEF-PEKVBPLLSA-N 0 1 363.377 2.940 10 5 FFBEMN COC[C@H](C)N1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301233695 258035781 /nfs/dbraw/zinc/03/57/81/258035781.db2.gz KRJBIRBIKAIWAZ-HNNXBMFYSA-N 0 1 371.441 2.517 10 5 FFBEMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302021221 258082529 /nfs/dbraw/zinc/08/25/29/258082529.db2.gz FJTJOBPXBQLVJH-MRXNPFEDSA-N 0 1 370.453 2.710 10 5 FFBEMN COc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])n[nH]2)cc1OC ZINC000072237529 507771147 /nfs/dbraw/zinc/77/11/47/507771147.db2.gz KBXHUAILZPOIOT-UHFFFAOYSA-N 0 1 356.338 2.976 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000116246931 508491751 /nfs/dbraw/zinc/49/17/51/508491751.db2.gz QHLGCPMRTSFGCB-KDOFPFPSSA-N 0 1 354.410 2.630 10 5 FFBEMN Cc1nc([C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000126549050 509093950 /nfs/dbraw/zinc/09/39/50/509093950.db2.gz DSHDGWQYZVKEMV-LLVKDONJSA-N 0 1 358.185 2.906 10 5 FFBEMN CC[C@@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357725 509193463 /nfs/dbraw/zinc/19/34/63/509193463.db2.gz KRODVNBJUUHTMO-SJORKVTESA-N 0 1 371.441 2.873 10 5 FFBEMN O=C(CCN1CCO[C@@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248505961 509346371 /nfs/dbraw/zinc/34/63/71/509346371.db2.gz WMFFDRYFUDGBJM-HZPDHXFCSA-N 0 1 351.378 2.706 10 5 FFBEMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000175186550 510522632 /nfs/dbraw/zinc/52/26/32/510522632.db2.gz SBWWPIQMBZTGQU-KRWDZBQOSA-N 0 1 371.441 2.884 10 5 FFBEMN CCc1nc(C2(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCCC2)no1 ZINC000175799786 510797502 /nfs/dbraw/zinc/79/75/02/510797502.db2.gz CARCDVFTZALQCR-UHFFFAOYSA-N 0 1 370.369 2.616 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n[nH]1 ZINC000068365122 507204489 /nfs/dbraw/zinc/20/44/89/507204489.db2.gz XEBVHNQSZPGTGM-MRXNPFEDSA-N 0 1 351.366 2.849 10 5 FFBEMN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCC2 ZINC000121178522 509145800 /nfs/dbraw/zinc/14/58/00/509145800.db2.gz JXSDWHOUTSKKMN-SJORKVTESA-N 0 1 361.442 2.863 10 5 FFBEMN C[C@H](COCc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172973328 509330564 /nfs/dbraw/zinc/33/05/64/509330564.db2.gz FSQWCSKKPBRWGK-GFCCVEGCSA-N 0 1 354.366 2.806 10 5 FFBEMN CCc1nc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CCO2)n[nH]1 ZINC000173686851 509721587 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10 5 FFBEMN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000247706335 510869030 /nfs/dbraw/zinc/86/90/30/510869030.db2.gz ZAGZKDCKGUFOMR-NWDGAFQWSA-N 0 1 370.837 2.557 10 5 FFBEMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000588470808 965528435 /nfs/dbraw/zinc/52/84/35/965528435.db2.gz SAIOQIARPYJGJB-FLIBITNWSA-N 0 1 363.377 2.752 10 5 FFBEMN COc1cc(CN2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1OC ZINC000092812645 250002593 /nfs/dbraw/zinc/00/25/93/250002593.db2.gz DWMXLBBPJFBFHL-AWEZNQCLSA-N 0 1 372.425 2.941 10 5 FFBEMN O=[N+]([O-])c1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000153472527 251141947 /nfs/dbraw/zinc/14/19/47/251141947.db2.gz UBBLEHWMTACONW-CYBMUJFWSA-N 0 1 373.375 2.768 10 5 FFBEMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000116244576 508490924 /nfs/dbraw/zinc/49/09/24/508490924.db2.gz JQXPSHBOZXCIFV-KXBFYZLASA-N 0 1 368.437 2.939 10 5 FFBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116251829 508491720 /nfs/dbraw/zinc/49/17/20/508491720.db2.gz TVCVTHRMRMHYQR-KXBFYZLASA-N 0 1 368.437 2.939 10 5 FFBEMN CCCc1[nH]nc(C(=O)N2CCC(c3cnn(CC)c3)CC2)c1[N+](=O)[O-] ZINC000123538008 508702295 /nfs/dbraw/zinc/70/22/95/508702295.db2.gz CJOVMJVOVPGRCC-UHFFFAOYSA-N 0 1 360.418 2.507 10 5 FFBEMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000120601444 509029404 /nfs/dbraw/zinc/02/94/04/509029404.db2.gz BHFQKKAFUHLNOQ-HUUCEWRRSA-N 0 1 359.426 2.742 10 5 FFBEMN CC[C@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357708 509192468 /nfs/dbraw/zinc/19/24/68/509192468.db2.gz KRODVNBJUUHTMO-IRXDYDNUSA-N 0 1 371.441 2.873 10 5 FFBEMN CCN(CC(=O)OC(C)(C)C)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000192241198 509420891 /nfs/dbraw/zinc/42/08/91/509420891.db2.gz GUUIANKCIAAGPM-UHFFFAOYSA-N 0 1 364.446 2.622 10 5 FFBEMN COc1ccc(OCCN2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700550 509728118 /nfs/dbraw/zinc/72/81/18/509728118.db2.gz ZHAKTSXYPUZLPE-OAHLLOKOSA-N 0 1 360.414 2.824 10 5 FFBEMN COc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000180875079 510157075 /nfs/dbraw/zinc/15/70/75/510157075.db2.gz UNQYMJAEEHHQNS-CYBMUJFWSA-N 0 1 373.409 2.926 10 5 FFBEMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545770 510865180 /nfs/dbraw/zinc/86/51/80/510865180.db2.gz RPRAHEGLKOBBED-TZMCWYRMSA-N 0 1 368.397 2.929 10 5 FFBEMN CC(C)c1ccc(CN2CCC[C@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622185 519344041 /nfs/dbraw/zinc/34/40/41/519344041.db2.gz WDPLNNIOQCEPJI-AWEZNQCLSA-N 0 1 371.441 2.920 10 5 FFBEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000708523707 977433025 /nfs/dbraw/zinc/43/30/25/977433025.db2.gz OUXIKKQDSJXHHT-HIFRSBDPSA-N 0 1 370.409 2.868 10 5 FFBEMN CCc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000107703752 507864092 /nfs/dbraw/zinc/86/40/92/507864092.db2.gz KBXUXNLCJKCIKS-UHFFFAOYSA-N 0 1 361.832 2.746 10 5 FFBEMN Cc1nc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)c2ccccc2)n[nH]1 ZINC000104404479 508334005 /nfs/dbraw/zinc/33/40/05/508334005.db2.gz NIOBSWJQCCGIGA-INIZCTEOSA-N 0 1 351.366 2.849 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1CC ZINC000119667260 508840188 /nfs/dbraw/zinc/84/01/88/508840188.db2.gz REFBLKKHZKSQSL-OAHLLOKOSA-N 0 1 364.446 2.868 10 5 FFBEMN O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000180951328 510203025 /nfs/dbraw/zinc/20/30/25/510203025.db2.gz UPHBWMVUHBUESH-OAHLLOKOSA-N 0 1 373.434 2.768 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246674176 510612535 /nfs/dbraw/zinc/61/25/35/510612535.db2.gz IFKFKLVHOQKDBI-DNVCBOLYSA-N 0 1 368.437 2.559 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144474 510844926 /nfs/dbraw/zinc/84/49/26/510844926.db2.gz HXAISSZQIYKVKR-SUMWQHHRSA-N 0 1 372.400 2.769 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247336839 510857559 /nfs/dbraw/zinc/85/75/59/510857559.db2.gz YUDHXABTQFKGCL-SCLBCKFNSA-N 0 1 372.400 2.769 10 5 FFBEMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000247545759 510865254 /nfs/dbraw/zinc/86/52/54/510865254.db2.gz RPRAHEGLKOBBED-GXTWGEPZSA-N 0 1 368.397 2.929 10 5 FFBEMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000588443969 964989786 /nfs/dbraw/zinc/98/97/86/964989786.db2.gz RIWKTDPUPGEXFM-WPTSLCKYSA-N 0 1 361.442 2.614 10 5 FFBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248760797 509473399 /nfs/dbraw/zinc/47/33/99/509473399.db2.gz JOOOIYZFZJBGPL-NVXWUHKLSA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@H](O)CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000245759808 510132478 /nfs/dbraw/zinc/13/24/78/510132478.db2.gz PLGMZCXASNTWDK-CABCVRRESA-N 0 1 359.426 2.742 10 5 FFBEMN CC[C@H](NCC(=O)NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181549713 510468674 /nfs/dbraw/zinc/46/86/74/510468674.db2.gz MAHVCVFEQCDGHK-KRWDZBQOSA-N 0 1 357.410 2.961 10 5 FFBEMN Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1[N+](=O)[O-] ZINC000247305454 510856264 /nfs/dbraw/zinc/85/62/64/510856264.db2.gz VJTXZCKLPOVSLQ-QAPCUYQASA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390807583 512910175 /nfs/dbraw/zinc/91/01/75/512910175.db2.gz MSGURGPKPUZPDO-LBPRGKRZSA-N 0 1 368.386 2.618 10 5 FFBEMN COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 ZINC000033931112 208103451 /nfs/dbraw/zinc/10/34/51/208103451.db2.gz LMSJYWVQFOVVCM-WTKPLQERSA-N 0 1 373.390 2.835 10 5 FFBEMN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccncc2)CC1 ZINC000058496536 507427779 /nfs/dbraw/zinc/42/77/79/507427779.db2.gz IJFFQEMVZZYFCI-AATRIKPKSA-N 0 1 366.421 2.784 10 5 FFBEMN CCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCCO1 ZINC000106867463 507825216 /nfs/dbraw/zinc/82/52/16/507825216.db2.gz KZULWFFKNYYLRJ-KRWDZBQOSA-N 0 1 361.442 2.765 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000116251622 508491482 /nfs/dbraw/zinc/49/14/82/508491482.db2.gz SEQVZCBCLFGJPB-JSGCOSHPSA-N 0 1 360.439 2.692 10 5 FFBEMN Cc1c(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124333174 508816390 /nfs/dbraw/zinc/81/63/90/508816390.db2.gz SVUZYNVGNNUZRK-ZDUSSCGKSA-N 0 1 362.430 2.620 10 5 FFBEMN Cc1c(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000124333174 508816395 /nfs/dbraw/zinc/81/63/95/508816395.db2.gz SVUZYNVGNNUZRK-ZDUSSCGKSA-N 0 1 362.430 2.620 10 5 FFBEMN O=C1C[C@H](c2cc(F)c(F)cc2F)C([N+](=O)[O-])C[C@@H]1Br ZINC000147265343 508856901 /nfs/dbraw/zinc/85/69/01/508856901.db2.gz WSNIAUNJAGSQMC-BUYFANAVSA-N 0 1 352.106 2.959 10 5 FFBEMN CC[C@@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000182357687 509192975 /nfs/dbraw/zinc/19/29/75/509192975.db2.gz KRODVNBJUUHTMO-IAGOWNOFSA-N 0 1 371.441 2.873 10 5 FFBEMN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccc(Cl)cc2F)cc1 ZINC000189344258 509530147 /nfs/dbraw/zinc/53/01/47/509530147.db2.gz OQIJLXZQXGLOFE-CVEARBPZSA-N 0 1 354.765 2.571 10 5 FFBEMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247172911 510848536 /nfs/dbraw/zinc/84/85/36/510848536.db2.gz JQXPSHBOZXCIFV-BEFAXECRSA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000708523708 977433052 /nfs/dbraw/zinc/43/30/52/977433052.db2.gz OUXIKKQDSJXHHT-UKRRQHHQSA-N 0 1 370.409 2.868 10 5 FFBEMN COc1cc(C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000103280553 250142761 /nfs/dbraw/zinc/14/27/61/250142761.db2.gz FLECWJWEPNTXJD-INIZCTEOSA-N 0 1 367.365 2.549 10 5 FFBEMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106180968 250252006 /nfs/dbraw/zinc/25/20/06/250252006.db2.gz HUIJAALFYRRELX-HNNXBMFYSA-N 0 1 359.430 2.724 10 5 FFBEMN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(C2CC2)CC1 ZINC000181166110 251252351 /nfs/dbraw/zinc/25/23/51/251252351.db2.gz OLQIFIAKFSTTCO-UHFFFAOYSA-N 0 1 355.341 2.507 10 5 FFBEMN CN(C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000301265309 258038355 /nfs/dbraw/zinc/03/83/55/258038355.db2.gz FESJIMHROMXYPB-AWEZNQCLSA-N 0 1 368.235 2.806 10 5 FFBEMN C[C@H]1CN(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396300 506506744 /nfs/dbraw/zinc/50/67/44/506506744.db2.gz YYUJAQJEBXBGQS-LBPRGKRZSA-N 0 1 367.833 2.574 10 5 FFBEMN Cc1nc([C@@H](NC(=O)C=Cc2ccccc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000068365039 507203382 /nfs/dbraw/zinc/20/33/82/507203382.db2.gz RDUCSZPDCRWUCR-DXRVJIQQSA-N 0 1 363.377 2.940 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000116244167 508490872 /nfs/dbraw/zinc/49/08/72/508490872.db2.gz DVUOHMSTOBEKOK-YJBOKZPZSA-N 0 1 368.437 2.559 10 5 FFBEMN CC[C@@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000123515702 508698983 /nfs/dbraw/zinc/69/89/83/508698983.db2.gz SKKHNSNQXXRIRW-QGZVFWFLSA-N 0 1 359.426 2.743 10 5 FFBEMN Cc1cc(N2CCC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000182344998 509187154 /nfs/dbraw/zinc/18/71/54/509187154.db2.gz NMPMFBJJSPUKLK-ZBFHGGJFSA-N 0 1 371.441 2.791 10 5 FFBEMN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(Cl)cc2F)cc1 ZINC000189344325 509529975 /nfs/dbraw/zinc/52/99/75/509529975.db2.gz OQIJLXZQXGLOFE-JKSUJKDBSA-N 0 1 354.765 2.571 10 5 FFBEMN CC(C)C[C@H](C[NH+](C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188222185 510656026 /nfs/dbraw/zinc/65/60/26/510656026.db2.gz MVIBVMGWEYOWEH-LLVKDONJSA-N 0 1 363.867 2.503 10 5 FFBEMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2nccs2)C1 ZINC000182225611 510823249 /nfs/dbraw/zinc/82/32/49/510823249.db2.gz ICAIXAUDQFONEB-UONOGXRCSA-N 0 1 363.439 2.671 10 5 FFBEMN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247325595 510857065 /nfs/dbraw/zinc/85/70/65/510857065.db2.gz XRJMBPDFAKXKAH-KDOFPFPSSA-N 0 1 368.437 2.939 10 5 FFBEMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408183071 513017003 /nfs/dbraw/zinc/01/70/03/513017003.db2.gz NUCRAUOYUZUFRK-WBVHZDCISA-N 0 1 372.469 2.894 10 5 FFBEMN CC(C)c1ccc(CN2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000583622186 519344723 /nfs/dbraw/zinc/34/47/23/519344723.db2.gz WDPLNNIOQCEPJI-CQSZACIVSA-N 0 1 371.441 2.920 10 5 FFBEMN CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000175298803 729093261 /nfs/dbraw/zinc/09/32/61/729093261.db2.gz HIDNWTBANHAVTC-YPMHNXCESA-N 0 1 370.837 2.557 10 5 FFBEMN COc1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1[N+](=O)[O-] ZINC000106178016 250249498 /nfs/dbraw/zinc/24/94/98/250249498.db2.gz VIEGBMBWLQFGDR-INIZCTEOSA-N 0 1 359.430 2.724 10 5 FFBEMN CCCn1c(=O)[nH]nc1SCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000107673500 507862787 /nfs/dbraw/zinc/86/27/87/507862787.db2.gz DWMQBSHUZXWIJD-UHFFFAOYSA-N 0 1 362.371 2.644 10 5 FFBEMN Cc1c(NC(=O)CCN2CCCC[C@@H]2c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000121780741 508416896 /nfs/dbraw/zinc/41/68/96/508416896.db2.gz LNRMJWFCJGITPK-OAHLLOKOSA-N 0 1 358.402 2.577 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243609 508490238 /nfs/dbraw/zinc/49/02/38/508490238.db2.gz QFQSEWKERRVCEL-PBHICJAKSA-N 0 1 354.410 2.630 10 5 FFBEMN CCOCCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1CC ZINC000116767770 508558194 /nfs/dbraw/zinc/55/81/94/508558194.db2.gz AKSKCXCKXSLOCO-AWEZNQCLSA-N 0 1 374.441 2.649 10 5 FFBEMN CC[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125112613 508932365 /nfs/dbraw/zinc/93/23/65/508932365.db2.gz VKKWQMMNQZZWAQ-AWEZNQCLSA-N 0 1 355.460 2.675 10 5 FFBEMN CCOCCN1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000120905374 509086544 /nfs/dbraw/zinc/08/65/44/509086544.db2.gz HXNLAVDGFLOJMT-ZDUSSCGKSA-N 0 1 373.400 2.739 10 5 FFBEMN CCOCCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC ZINC000177055186 509843559 /nfs/dbraw/zinc/84/35/59/509843559.db2.gz WKCBPVDUWYIGKM-CQSZACIVSA-N 0 1 362.430 2.669 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246480958 510511617 /nfs/dbraw/zinc/51/16/17/510511617.db2.gz HLOXSIZZMBOMHU-SUMWQHHRSA-N 0 1 372.400 2.769 10 5 FFBEMN Cc1cc(N2CC[C@H]3OCCN(C)[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408027698 512986415 /nfs/dbraw/zinc/98/64/15/512986415.db2.gz AVQHMPZZVCZDQJ-HUUCEWRRSA-N 0 1 370.247 2.575 10 5 FFBEMN CC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000246936348 729592163 /nfs/dbraw/zinc/59/21/63/729592163.db2.gz HIDNWTBANHAVTC-AAEUAGOBSA-N 0 1 370.837 2.557 10 5 FFBEMN Cc1ccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079494554 507967975 /nfs/dbraw/zinc/96/79/75/507967975.db2.gz CECKIQVQHKKYNT-AWEZNQCLSA-N 0 1 362.430 2.620 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1CC ZINC000119737221 508853233 /nfs/dbraw/zinc/85/32/33/508853233.db2.gz HVEDOLNUSXSOIM-OAHLLOKOSA-N 0 1 364.446 2.868 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173788603 509779598 /nfs/dbraw/zinc/77/95/98/509779598.db2.gz IFKFKLVHOQKDBI-KXBFYZLASA-N 0 1 368.437 2.559 10 5 FFBEMN CC[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178677270 510716694 /nfs/dbraw/zinc/71/66/94/510716694.db2.gz GGEGGAZGOHBTGO-SWLSCSKDSA-N 0 1 350.419 2.506 10 5 FFBEMN CC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000246936379 729592168 /nfs/dbraw/zinc/59/21/68/729592168.db2.gz HIDNWTBANHAVTC-WCQYABFASA-N 0 1 370.837 2.557 10 5 FFBEMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000263537438 729692032 /nfs/dbraw/zinc/69/20/32/729692032.db2.gz AGGIOCBEPNAVKW-UHFFFAOYSA-N 0 1 372.219 2.707 10 5 FFBEMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181192314 251255866 /nfs/dbraw/zinc/25/58/66/251255866.db2.gz FYRIHCBGDJFAMY-RISCZKNCSA-N 0 1 361.427 2.947 10 5 FFBEMN O=[N+]([O-])c1ccc(CO)cc1NCC1(CN2CCOCC2)CCCCC1 ZINC000302025933 258083048 /nfs/dbraw/zinc/08/30/48/258083048.db2.gz HXDYOFWDBVOPIA-UHFFFAOYSA-N 0 1 363.458 2.782 10 5 FFBEMN CC(=O)c1ccc(N(C)C2CCN(CCn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000109129544 507941888 /nfs/dbraw/zinc/94/18/88/507941888.db2.gz WHYYAKUAUQCHFZ-UHFFFAOYSA-N 0 1 371.441 2.595 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116248481 508491954 /nfs/dbraw/zinc/49/19/54/508491954.db2.gz HXAISSZQIYKVKR-GUYCJALGSA-N 0 1 372.400 2.769 10 5 FFBEMN Cc1nc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)c2ccccc2)n[nH]1 ZINC000119666984 508839987 /nfs/dbraw/zinc/83/99/87/508839987.db2.gz BEBVXKJYMDLDFB-SFHVURJKSA-N 0 1 365.393 2.778 10 5 FFBEMN C[C@@H](O)CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000120629946 509035008 /nfs/dbraw/zinc/03/50/08/509035008.db2.gz PLGMZCXASNTWDK-LSDHHAIUSA-N 0 1 359.426 2.742 10 5 FFBEMN C[C@@H](COCc1ccccc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172973322 509330946 /nfs/dbraw/zinc/33/09/46/509330946.db2.gz FSQWCSKKPBRWGK-LBPRGKRZSA-N 0 1 354.366 2.806 10 5 FFBEMN COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C3CC3)CC2)cc1SC ZINC000171294409 510061395 /nfs/dbraw/zinc/06/13/95/510061395.db2.gz BYACENAUIAAMGP-UHFFFAOYSA-N 0 1 365.455 2.636 10 5 FFBEMN O=[N+]([O-])c1cc(CN2CC[C@@H](CNc3ccccn3)C2)c2c(c1)COCO2 ZINC000171646844 510274556 /nfs/dbraw/zinc/27/45/56/510274556.db2.gz HXTUGTYPLQLXPD-AWEZNQCLSA-N 0 1 370.409 2.790 10 5 FFBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121648253 1009103116 /nfs/dbraw/zinc/10/31/16/1009103116.db2.gz DPNJXORFQCMATB-HNNXBMFYSA-N 0 1 358.402 2.577 10 5 FFBEMN CCOCC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000302017266 258082506 /nfs/dbraw/zinc/08/25/06/258082506.db2.gz MBTWFQKMCAETQB-HNNXBMFYSA-N 0 1 358.442 2.998 10 5 FFBEMN CCOCCN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000302017266 258082507 /nfs/dbraw/zinc/08/25/07/258082507.db2.gz MBTWFQKMCAETQB-HNNXBMFYSA-N 0 1 358.442 2.998 10 5 FFBEMN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCCO1 ZINC000106866508 507824932 /nfs/dbraw/zinc/82/49/32/507824932.db2.gz 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CCc1nc([C@H]2CN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000189945187 509845457 /nfs/dbraw/zinc/84/54/57/509845457.db2.gz YNMSEXYPXBRPRN-OAHLLOKOSA-N 0 1 373.413 2.612 10 5 FFBEMN COc1cccc2c1OC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000194372697 510332446 /nfs/dbraw/zinc/33/24/46/510332446.db2.gz HJKLZRXARCSBSA-ZDUSSCGKSA-N 0 1 359.338 2.605 10 5 FFBEMN CCc1csc([C@H]2CCCN(C(=O)c3n[nH]c(CC)c3[N+](=O)[O-])C2)n1 ZINC000172164059 510578308 /nfs/dbraw/zinc/57/83/08/510578308.db2.gz CTKLBVVGPMUOBW-JTQLQIEISA-N 0 1 363.443 2.919 10 5 FFBEMN O=C(CCN1CCO[C@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188969 510737753 /nfs/dbraw/zinc/73/77/53/510737753.db2.gz WMFFDRYFUDGBJM-HOTGVXAUSA-N 0 1 351.378 2.706 10 5 FFBEMN Cc1ccc(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079494552 507968262 /nfs/dbraw/zinc/96/82/62/507968262.db2.gz CECKIQVQHKKYNT-CQSZACIVSA-N 0 1 362.430 2.620 10 5 FFBEMN CCCn1cc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000106158541 508396295 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YIVMMIHEQZWKGR-GOSISDBHSA-N 0 1 357.410 2.875 10 5 FFBEMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175186527 510523527 /nfs/dbraw/zinc/52/35/27/510523527.db2.gz SBWWPIQMBZTGQU-QGZVFWFLSA-N 0 1 371.441 2.884 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247144459 510845251 /nfs/dbraw/zinc/84/52/51/510845251.db2.gz HXAISSZQIYKVKR-CXAGYDPISA-N 0 1 372.400 2.769 10 5 FFBEMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000248324376 729602466 /nfs/dbraw/zinc/60/24/66/729602466.db2.gz APMJXXZBZNWIBB-OCCSQVGLSA-N 0 1 366.849 2.745 10 5 FFBEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263470511 729689842 /nfs/dbraw/zinc/68/98/42/729689842.db2.gz DLTAGISBTBITOJ-UHFFFAOYSA-N 0 1 367.833 2.665 10 5 FFBEMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000588443967 964989339 /nfs/dbraw/zinc/98/93/39/964989339.db2.gz RIWKTDPUPGEXFM-REJXWNQVSA-N 0 1 361.442 2.614 10 5 FFBEMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181192296 251256616 /nfs/dbraw/zinc/25/66/16/251256616.db2.gz FYRIHCBGDJFAMY-FZMZJTMJSA-N 0 1 361.427 2.947 10 5 FFBEMN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000107254372 507839738 /nfs/dbraw/zinc/83/97/38/507839738.db2.gz OJNDQYAVGTWKGG-OAHLLOKOSA-N 0 1 368.397 2.799 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)c2ccccc2)n[nH]1 ZINC000104404421 508333803 /nfs/dbraw/zinc/33/38/03/508333803.db2.gz FPAPNRUJHVBPAZ-MRXNPFEDSA-N 0 1 351.366 2.849 10 5 FFBEMN CCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC(C)(C)C ZINC000155348315 508983127 /nfs/dbraw/zinc/98/31/27/508983127.db2.gz HOYJSHSXDDIOLC-ZDUSSCGKSA-N 0 1 362.386 2.711 10 5 FFBEMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180667280 510044994 /nfs/dbraw/zinc/04/49/94/510044994.db2.gz BFSSWHYOJXYEMO-CYBMUJFWSA-N 0 1 365.393 2.730 10 5 FFBEMN O=[N+]([O-])c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])c1 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LEVCDGZOMIAHPH-INIZCTEOSA-N 0 1 366.381 2.582 10 5 FFBEMN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CCc2ccccc2)CC1 ZINC000027251843 507642606 /nfs/dbraw/zinc/64/26/06/507642606.db2.gz OHZYBCHTYVOCEH-ZHACJKMWSA-N 0 1 365.433 2.995 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000116928157 508571163 /nfs/dbraw/zinc/57/11/63/508571163.db2.gz PVFBACGMEZCDTL-HNNXBMFYSA-N 0 1 350.419 2.559 10 5 FFBEMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000120614637 509031784 /nfs/dbraw/zinc/03/17/84/509031784.db2.gz JLMMSKSLMLDXEZ-HUUCEWRRSA-N 0 1 359.426 2.742 10 5 FFBEMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245697321 510091834 /nfs/dbraw/zinc/09/18/34/510091834.db2.gz SJOKRMKIXGNPJR-KBXCAEBGSA-N 0 1 374.441 2.673 10 5 FFBEMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000172410868 510711998 /nfs/dbraw/zinc/71/19/98/510711998.db2.gz CLYUGHZQTVICPJ-DGCLKSJQSA-N 0 1 358.398 2.907 10 5 FFBEMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172410863 510712498 /nfs/dbraw/zinc/71/24/98/510712498.db2.gz CLYUGHZQTVICPJ-AAEUAGOBSA-N 0 1 358.398 2.907 10 5 FFBEMN CS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301805045 258068588 /nfs/dbraw/zinc/06/85/88/258068588.db2.gz VGZLIPZDHSVUAR-OAHLLOKOSA-N 0 1 367.471 2.675 10 5 FFBEMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000045287419 506944639 /nfs/dbraw/zinc/94/46/39/506944639.db2.gz KEPRFEIAYDPKJF-SNVBAGLBSA-N 0 1 368.349 2.733 10 5 FFBEMN CCCc1n[nH]c(C(=O)N2CCC[C@H](n3ccnc3CC)C2)c1[N+](=O)[O-] ZINC000109677062 507979904 /nfs/dbraw/zinc/97/99/04/507979904.db2.gz ZNLQHBYCKWWWGH-LBPRGKRZSA-N 0 1 360.418 2.507 10 5 FFBEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000116248679 508491586 /nfs/dbraw/zinc/49/15/86/508491586.db2.gz YUDHXABTQFKGCL-ACJLOTCBSA-N 0 1 372.400 2.769 10 5 FFBEMN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000182336572 509181597 /nfs/dbraw/zinc/18/15/97/509181597.db2.gz KYUWSCCBDBPIIW-HOCLYGCPSA-N 0 1 371.441 2.791 10 5 FFBEMN O=C(CN1CCCC[C@H]1c1nnc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182681466 509369081 /nfs/dbraw/zinc/36/90/81/509369081.db2.gz SPNPUGHZZYMVES-LBPRGKRZSA-N 0 1 364.793 2.532 10 5 FFBEMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000176382753 509479337 /nfs/dbraw/zinc/47/93/37/509479337.db2.gz YSQADDOQPOMRFH-NSHDSACASA-N 0 1 374.397 2.527 10 5 FFBEMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCN(Cc2cccnc2)CC1 ZINC000172244021 510621069 /nfs/dbraw/zinc/62/10/69/510621069.db2.gz PNCGUWDUXZWVGP-VOTSOKGWSA-N 0 1 366.421 2.784 10 5 FFBEMN CCc1nc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000182195967 510809586 /nfs/dbraw/zinc/80/95/86/510809586.db2.gz ZOGFLYPSGQXFPR-ZDUSSCGKSA-N 0 1 351.794 2.502 10 5 FFBEMN COC(=O)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000044648342 506870462 /nfs/dbraw/zinc/87/04/62/506870462.db2.gz NSKAULDUPTXRBX-OAHLLOKOSA-N 0 1 368.349 2.505 10 5 FFBEMN Cc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)c2ccccc2)n[nH]1 ZINC000057796214 507329040 /nfs/dbraw/zinc/32/90/40/507329040.db2.gz HPYBRUHRLUEADX-CQSZACIVSA-N 0 1 357.395 2.911 10 5 FFBEMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000116243612 508490503 /nfs/dbraw/zinc/49/05/03/508490503.db2.gz QFQSEWKERRVCEL-YOEHRIQHSA-N 0 1 354.410 2.630 10 5 FFBEMN CCOCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000116928016 508571136 /nfs/dbraw/zinc/57/11/36/508571136.db2.gz OGIRAQMBQFINGT-OAHLLOKOSA-N 0 1 350.419 2.559 10 5 FFBEMN CCCCN1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124200874 508796439 /nfs/dbraw/zinc/79/64/39/508796439.db2.gz ZTOHAHMOWRXTPW-UHFFFAOYSA-N 0 1 355.460 2.675 10 5 FFBEMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982512 509798372 /nfs/dbraw/zinc/79/83/72/509798372.db2.gz OKWIJAKODONZLP-LBPRGKRZSA-N 0 1 367.471 2.882 10 5 FFBEMN COc1ccccc1N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194506234 510398502 /nfs/dbraw/zinc/39/85/02/510398502.db2.gz OBWCAOFERWHHNL-AWEZNQCLSA-N 0 1 372.381 2.880 10 5 FFBEMN Cc1ccc(OC2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000181552153 510469539 /nfs/dbraw/zinc/46/95/39/510469539.db2.gz YIVMMIHEQZWKGR-SFHVURJKSA-N 0 1 357.410 2.875 10 5 FFBEMN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2CCCC[C@H]2C1 ZINC000195042195 510643834 /nfs/dbraw/zinc/64/38/34/510643834.db2.gz OVUAUBJCQAUYDP-KRWDZBQOSA-N 0 1 372.469 2.508 10 5 FFBEMN COCCN1[C@H](C)CN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000588447258 965054492 /nfs/dbraw/zinc/05/44/92/965054492.db2.gz ALHPACYXRPKZAW-REJXWNQVSA-N 0 1 361.442 2.566 10 5 FFBEMN CN1CCO[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153122974 251104883 /nfs/dbraw/zinc/10/48/83/251104883.db2.gz PKVTXQNBVUTNKY-QWHCGFSZSA-N 0 1 365.739 2.786 10 5 FFBEMN 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SPACSSLXGRKBTK-HNAYVOBHSA-N 0 1 368.437 2.939 10 5 FFBEMN Cn1cc([C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000153930068 508679291 /nfs/dbraw/zinc/67/92/91/508679291.db2.gz HKVGBDSBYMQRFG-AWEZNQCLSA-N 0 1 353.382 2.973 10 5 FFBEMN Cc1cccc(NC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)n1 ZINC000171365514 510109398 /nfs/dbraw/zinc/10/93/98/510109398.db2.gz YCVDTXPDSNBJSP-GFCCVEGCSA-N 0 1 358.427 2.946 10 5 FFBEMN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000180789345 510109584 /nfs/dbraw/zinc/10/95/84/510109584.db2.gz FGHWHPUZIQYZEH-ZDUSSCGKSA-N 0 1 369.805 2.536 10 5 FFBEMN CCn1cc(CN2CCCN(c3ccc([N+](=O)[O-])cc3COC)CC2)cn1 ZINC000175101948 510483799 /nfs/dbraw/zinc/48/37/99/510483799.db2.gz OWVQUEOUCCOAST-UHFFFAOYSA-N 0 1 373.457 2.670 10 5 FFBEMN CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1[N+](=O)[O-] ZINC000188382470 510740248 /nfs/dbraw/zinc/74/02/48/510740248.db2.gz YPACSWOCGJVWIY-CQSZACIVSA-N 0 1 358.398 2.873 10 5 FFBEMN 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FFBEMN Cc1nc([C@@H](NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000068365136 507203541 /nfs/dbraw/zinc/20/35/41/507203541.db2.gz CTZPSIYPVDEQBL-ZGKFYVQTSA-N 0 1 363.377 2.940 10 5 FFBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121757799 508412203 /nfs/dbraw/zinc/41/22/03/508412203.db2.gz PJJXJJHGLCLZQO-HNNXBMFYSA-N 0 1 358.402 2.577 10 5 FFBEMN Cc1nc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CCO2)n[nH]1 ZINC000154019480 508699925 /nfs/dbraw/zinc/69/99/25/508699925.db2.gz NIJNMEQIIWXRNW-CYBMUJFWSA-N 0 1 371.319 2.614 10 5 FFBEMN CCOC(=O)CCc1c(O)ccc2c(=O)c3cc(C(=O)OC)ccc3oc21 ZINC000143618215 508833198 /nfs/dbraw/zinc/83/31/98/508833198.db2.gz NGCJTHPHBBLCNZ-UHFFFAOYSA-N 0 1 370.357 2.934 10 5 FFBEMN COc1ccc2oc(CN[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583777 509003218 /nfs/dbraw/zinc/00/32/18/509003218.db2.gz LDAVYDVIKHRZCZ-HKUYNNGSSA-N 0 1 372.377 2.534 10 5 FFBEMN COc1ccc(OCCN2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000173700567 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