smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1OC ZINC001311547943 1069433594 /nfs/dbraw/zinc/43/35/94/1069433594.db2.gz HRJSWZNJOZRTAZ-UHFFFAOYSA-N 0 0 456.421 3.851 20 5 JHBDRN COc1cc(CCNC(=O)N(C)Cc2cscc2Br)c([N+](=O)[O-])cc1OC ZINC001311594486 1069456365 /nfs/dbraw/zinc/45/63/65/1069456365.db2.gz RPBSETSSPVPYIV-UHFFFAOYSA-N 0 0 458.334 3.820 20 5 JHBDRN COc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001311641216 1069485922 /nfs/dbraw/zinc/48/59/22/1069485922.db2.gz UWRXFHXTCWIDLF-CQSZACIVSA-N 0 0 454.405 3.580 20 5 JHBDRN O=C(N[C@H]1CCc2c1cccc2O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001311975285 1069645522 /nfs/dbraw/zinc/64/55/22/1069645522.db2.gz JVVXBTVTVHIPTK-KRWDZBQOSA-N 0 0 450.417 3.838 20 5 JHBDRN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001306854991 1069661037 /nfs/dbraw/zinc/66/10/37/1069661037.db2.gz KBGATZTYSJJUQZ-STQMWFEESA-N 0 0 456.337 3.980 20 5 JHBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N[C@@H]3CCCC[C@@H]3F)c([N+](=O)[O-])c2)c(C)c1 ZINC001306883776 1069672488 /nfs/dbraw/zinc/67/24/88/1069672488.db2.gz FMKZUWJZXCVVIB-PKOBYXMFSA-N 0 0 478.546 3.821 20 5 JHBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)CC1 ZINC001306885777 1069673129 /nfs/dbraw/zinc/67/31/29/1069673129.db2.gz XLXDCJAPTPYSNU-UHFFFAOYSA-N 0 0 453.543 3.897 20 5 JHBDRN NC(=O)c1ccnc(Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001306950724 1069688277 /nfs/dbraw/zinc/68/82/77/1069688277.db2.gz FNIGPIYBLVBTQB-UHFFFAOYSA-N 0 0 451.870 3.965 20 5 JHBDRN COC(=O)Cc1ccc(NCCC(=O)Nc2cc(Br)ccc2C)c([N+](=O)[O-])c1 ZINC001306956400 1069688923 /nfs/dbraw/zinc/68/89/23/1069688923.db2.gz DPTLBRYPQASVAT-UHFFFAOYSA-N 0 0 450.289 3.822 20 5 JHBDRN O=C(NCCCNc1ncc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001306955962 1069688974 /nfs/dbraw/zinc/68/89/74/1069688974.db2.gz RMHBMLCNGXBRAH-UHFFFAOYSA-N 0 0 458.110 3.747 20 5 JHBDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001306977042 1069692723 /nfs/dbraw/zinc/69/27/23/1069692723.db2.gz BUJFNRUNVPEAON-INIZCTEOSA-N 0 0 451.449 3.987 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 ZINC001306961492 1069690280 /nfs/dbraw/zinc/69/02/80/1069690280.db2.gz WUAPNXGOWGPCKB-UHFFFAOYSA-N 0 0 456.499 3.966 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC001306998616 1069696674 /nfs/dbraw/zinc/69/66/74/1069696674.db2.gz CADGQJSBXAUZJJ-UHFFFAOYSA-N 0 0 459.455 3.933 20 5 JHBDRN CC[C@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC001306984533 1069693470 /nfs/dbraw/zinc/69/34/70/1069693470.db2.gz IHPBPACWTJHNAF-OXJNMPFZSA-N 0 0 457.499 3.828 20 5 JHBDRN NC(=O)C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001306986981 1069694259 /nfs/dbraw/zinc/69/42/59/1069694259.db2.gz NOXLUPBDHJSZAC-CYBMUJFWSA-N 0 0 451.810 3.570 20 5 JHBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC[C@@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001306985904 1069694281 /nfs/dbraw/zinc/69/42/81/1069694281.db2.gz AIUGFWHHXOAJNM-QGZVFWFLSA-N 0 0 451.549 3.863 20 5 JHBDRN Cc1ccc(S(=O)(=O)C2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001312151506 1069749788 /nfs/dbraw/zinc/74/97/88/1069749788.db2.gz BWUABPMQBNPNEQ-UHFFFAOYSA-N 0 0 459.568 3.874 20 5 JHBDRN CC(C)(CNC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccncc1 ZINC001312321906 1069863165 /nfs/dbraw/zinc/86/31/65/1069863165.db2.gz MEUBVCOEQHZQOZ-UHFFFAOYSA-N 0 0 451.449 3.818 20 5 JHBDRN Cn1ccnc1C(=O)c1ccc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC001307086181 1069888255 /nfs/dbraw/zinc/88/82/55/1069888255.db2.gz RHZVEYZHNQTMGB-LJQANCHMSA-N 0 0 458.421 3.739 20 5 JHBDRN Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001307115069 1069894352 /nfs/dbraw/zinc/89/43/52/1069894352.db2.gz VTKWRIATLFOGRC-UHFFFAOYSA-N 0 0 455.323 3.571 20 5 JHBDRN CCC(=O)c1ccc(NC[C@@H](Oc2ccc(Br)cc2)C(=O)OC)c([N+](=O)[O-])c1 ZINC001307118464 1069895100 /nfs/dbraw/zinc/89/51/00/1069895100.db2.gz LDNNFLGFICBMDB-GOSISDBHSA-N 0 0 451.273 3.983 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC[C@@](O)(c2ccccc2)C1 ZINC001307169142 1069903269 /nfs/dbraw/zinc/90/32/69/1069903269.db2.gz ZCVULOFADFHPAZ-QHCPKHFHSA-N 0 0 459.568 3.648 20 5 JHBDRN Cc1cc(N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001307206839 1069907199 /nfs/dbraw/zinc/90/71/99/1069907199.db2.gz GZVILXIKCYNLKB-QHCPKHFHSA-N 0 0 455.515 3.576 20 5 JHBDRN CCOc1cc(N2CCN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CC2)ccc1[N+](=O)[O-] ZINC001312399171 1069909897 /nfs/dbraw/zinc/90/98/97/1069909897.db2.gz UEUWJWQCPYSNQY-IBGZPJMESA-N 0 0 458.490 3.878 20 5 JHBDRN CCOc1cc(N2CCN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CC2)ccc1[N+](=O)[O-] ZINC001312400863 1069911317 /nfs/dbraw/zinc/91/13/17/1069911317.db2.gz MWIYWHDNZOHUKT-IBGZPJMESA-N 0 0 458.490 3.878 20 5 JHBDRN CCO[C@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2ccnc2C)C1(C)C ZINC001314243247 1069951366 /nfs/dbraw/zinc/95/13/66/1069951366.db2.gz KUOHWVVZERDXPU-PMACEKPBSA-N 0 0 453.547 3.698 20 5 JHBDRN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2=O)C1(C)C ZINC001314243542 1069953051 /nfs/dbraw/zinc/95/30/51/1069953051.db2.gz LWUZZCMYHILYGZ-LEWJYISDSA-N 0 0 484.601 3.896 20 5 JHBDRN COc1ccc(C2=NO[C@@H](CNC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)C2)cc1F ZINC001312571876 1070021460 /nfs/dbraw/zinc/02/14/60/1070021460.db2.gz ONEQEGQOFOHPLN-IEBWSBKVSA-N 0 0 456.474 3.825 20 5 JHBDRN Cc1c(NC(=O)[C@H](C)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001307500495 1070019231 /nfs/dbraw/zinc/01/92/31/1070019231.db2.gz DUZKLYAWQMCCRD-RDJZCZTQSA-N 0 0 458.946 3.659 20 5 JHBDRN CCOCc1ccc(Cn2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nnc2C(C)(C)C)cc1 ZINC001314293075 1070074437 /nfs/dbraw/zinc/07/44/37/1070074437.db2.gz RBCLJEFMKWJPPG-UHFFFAOYSA-N 0 0 479.585 3.790 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001312705270 1070087771 /nfs/dbraw/zinc/08/77/71/1070087771.db2.gz OSTCICRSHCRDPA-KRWDZBQOSA-N 0 0 454.474 3.914 20 5 JHBDRN CCOCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1Cc1cccc(Br)n1 ZINC001314310134 1070097858 /nfs/dbraw/zinc/09/78/58/1070097858.db2.gz WMSGDZRLARYMJI-UHFFFAOYSA-N 0 0 475.347 3.608 20 5 JHBDRN Cc1cccc(S(=O)(=O)CCCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC001307760906 1070171733 /nfs/dbraw/zinc/17/17/33/1070171733.db2.gz CZGUWBOUOGICLU-UHFFFAOYSA-N 0 0 453.358 3.888 20 5 JHBDRN O=C([N-][C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001307921446 1070243175 /nfs/dbraw/zinc/24/31/75/1070243175.db2.gz XKQFRMNPSPLLKE-IRXDYDNUSA-N 0 0 455.408 3.649 20 5 JHBDRN O=C(NCc1ccc(-c2ccccc2)s1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001313067230 1070239267 /nfs/dbraw/zinc/23/92/67/1070239267.db2.gz MSKIFFHTMPXUJD-UHFFFAOYSA-N 0 0 450.520 3.991 20 5 JHBDRN COc1cc(CN2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC001307965413 1070261685 /nfs/dbraw/zinc/26/16/85/1070261685.db2.gz COHNMTPKFVGNNT-UHFFFAOYSA-N 0 0 456.396 3.697 20 5 JHBDRN COC(=O)[C@](C)(NCc1ccc(OC)c(OC)c1Br)c1cccc([N+](=O)[O-])c1 ZINC001307980945 1070268472 /nfs/dbraw/zinc/26/84/72/1070268472.db2.gz MUYXPRZUQYEBQX-LJQANCHMSA-N 0 0 453.289 3.553 20 5 JHBDRN CC(C)(C)OC(=O)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)c2ccc(Br)cc21 ZINC001307991758 1070272518 /nfs/dbraw/zinc/27/25/18/1070272518.db2.gz VNYCJENCRLLIPR-CQSZACIVSA-N 0 0 451.321 3.889 20 5 JHBDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001313217700 1070296113 /nfs/dbraw/zinc/29/61/13/1070296113.db2.gz INZHOTOGHIXNJR-ZDUSSCGKSA-N 0 0 459.304 3.841 20 5 JHBDRN COc1ccc(NC(=O)[C@@H](C)N2CCc3ccc(Br)c(F)c3C2)c([N+](=O)[O-])c1 ZINC001308085671 1070308350 /nfs/dbraw/zinc/30/83/50/1070308350.db2.gz SDJONVSGRPKVAM-LLVKDONJSA-N 0 0 452.280 3.890 20 5 JHBDRN CCOCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001314451547 1070349359 /nfs/dbraw/zinc/34/93/59/1070349359.db2.gz GAOCXPZEEPVBCZ-IBGZPJMESA-N 0 0 472.590 3.801 20 5 JHBDRN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)coc2C)C1 ZINC001313462301 1070420088 /nfs/dbraw/zinc/42/00/88/1070420088.db2.gz VQZJIBFDYCBJON-LJQANCHMSA-N 0 0 466.542 3.854 20 5 JHBDRN CCOc1cc(N2CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001308733913 1070428480 /nfs/dbraw/zinc/42/84/80/1070428480.db2.gz GJLZBMKPAJZOTE-OAHLLOKOSA-N 0 0 458.506 3.664 20 5 JHBDRN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C(C)C)cs1 ZINC001314512107 1070473474 /nfs/dbraw/zinc/47/34/74/1070473474.db2.gz DRBMUKWVIBNPQE-OAHLLOKOSA-N 0 0 492.627 3.741 20 5 JHBDRN CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC(CC)(CC)C1 ZINC001313475723 1070477387 /nfs/dbraw/zinc/47/73/87/1070477387.db2.gz BEZIDLCXLUNMIC-UHFFFAOYSA-N 0 0 460.604 3.882 20 5 JHBDRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OS(=O)(=O)c1conc1C ZINC001309009648 1070481080 /nfs/dbraw/zinc/48/10/80/1070481080.db2.gz UGPDNBRBZBEBBT-QGZVFWFLSA-N 0 0 457.464 3.649 20 5 JHBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1C ZINC001309014966 1070485572 /nfs/dbraw/zinc/48/55/72/1070485572.db2.gz DFVJCPHLMZQUJD-UHFFFAOYSA-N 0 0 457.474 3.737 20 5 JHBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309019724 1070487648 /nfs/dbraw/zinc/48/76/48/1070487648.db2.gz QDPPDRVHEJSWNI-GFCCVEGCSA-N 0 0 455.418 3.576 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC001309059178 1070514034 /nfs/dbraw/zinc/51/40/34/1070514034.db2.gz WXIHMNBZKSVDQD-UHFFFAOYSA-N 0 0 450.650 3.565 20 5 JHBDRN Cc1cc(Cl)c(S(=O)(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001309083313 1070528690 /nfs/dbraw/zinc/52/86/90/1070528690.db2.gz DJGSCIQSOGBZQD-UHFFFAOYSA-N 0 0 457.980 3.750 20 5 JHBDRN CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001314539660 1070535601 /nfs/dbraw/zinc/53/56/01/1070535601.db2.gz NGDYPVJKIQLMCK-QZTJIDSGSA-N 0 0 490.630 3.540 20 5 JHBDRN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC001309133659 1070558141 /nfs/dbraw/zinc/55/81/41/1070558141.db2.gz NMIUQPMEYOKWJQ-UHFFFAOYSA-N 0 0 459.858 3.566 20 5 JHBDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001313520680 1070587078 /nfs/dbraw/zinc/58/70/78/1070587078.db2.gz FLYNCEPUGWYSHD-FQEVSTJZSA-N 0 0 472.590 3.801 20 5 JHBDRN CN(C)c1ccc(Br)c(S(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001309253711 1070647537 /nfs/dbraw/zinc/64/75/37/1070647537.db2.gz COHBMSXWPLKGEY-UHFFFAOYSA-N 0 0 456.362 3.725 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c(Cl)cc1Cl ZINC001309295809 1070678046 /nfs/dbraw/zinc/67/80/46/1070678046.db2.gz FGJCFYYFGPSONC-VIFPVBQESA-N 0 0 451.719 3.507 20 5 JHBDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309330532 1070703721 /nfs/dbraw/zinc/70/37/21/1070703721.db2.gz HWYISVMOKNJUOL-UHFFFAOYSA-N 0 0 453.826 3.798 20 5 JHBDRN CCCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC001309333097 1070704708 /nfs/dbraw/zinc/70/47/08/1070704708.db2.gz YJGRNVRWMRAUDA-UHFFFAOYSA-N 0 0 455.330 3.893 20 5 JHBDRN CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1)[C@H](C)C1CCC1 ZINC001313585753 1070710982 /nfs/dbraw/zinc/71/09/82/1070710982.db2.gz ZGULGLPVPCQJPM-MRXNPFEDSA-N 0 0 461.588 3.836 20 5 JHBDRN CN(C)C(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC2CC(F)(F)C2)CCCC1 ZINC001314627722 1070721582 /nfs/dbraw/zinc/72/15/82/1070721582.db2.gz HDYSFFQELWKCHC-UHFFFAOYSA-N 0 0 476.528 3.983 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362319 1070723936 /nfs/dbraw/zinc/72/39/36/1070723936.db2.gz DMDMTBNYNKICPI-YWZLYKJASA-N 0 0 455.939 3.975 20 5 JHBDRN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC001309423864 1070761614 /nfs/dbraw/zinc/76/16/14/1070761614.db2.gz PNFIYZZZQDLKKS-UHFFFAOYSA-N 0 0 456.354 3.716 20 5 JHBDRN CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC2(CCOCC2)C1 ZINC001313638031 1070778051 /nfs/dbraw/zinc/77/80/51/1070778051.db2.gz PNEJHQGGGHUIAS-UHFFFAOYSA-N 0 0 484.601 3.899 20 5 JHBDRN CCOC(=O)c1csc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001309470341 1070790461 /nfs/dbraw/zinc/79/04/61/1070790461.db2.gz GNPUHTKYRXPNKQ-ZDUSSCGKSA-N 0 0 459.933 3.716 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC001309464951 1070786998 /nfs/dbraw/zinc/78/69/98/1070786998.db2.gz QTNWHYWMEWGXDM-WBVHZDCISA-N 0 0 450.488 3.834 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2ccc(I)c(C)c2)cc1F ZINC001309521642 1070824633 /nfs/dbraw/zinc/82/46/33/1070824633.db2.gz UUIAVWAIDKQBGE-UHFFFAOYSA-N 0 0 451.213 3.723 20 5 JHBDRN COc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3O)n2)cc1 ZINC000904360371 1070842967 /nfs/dbraw/zinc/84/29/67/1070842967.db2.gz LLJQTTIBNWIYKC-UHFFFAOYSA-N 0 0 468.447 3.827 20 5 JHBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001309572021 1070864818 /nfs/dbraw/zinc/86/48/18/1070864818.db2.gz SKTJIQUDFQVURP-YESZJQIVSA-N 0 0 453.561 3.526 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)c1 ZINC001309608907 1070882067 /nfs/dbraw/zinc/88/20/67/1070882067.db2.gz XPAPKRUBWGIHQR-VYDXJSESSA-N 0 0 455.577 3.772 20 5 JHBDRN Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001309611597 1070883788 /nfs/dbraw/zinc/88/37/88/1070883788.db2.gz VZMLIYJYVOKJBK-MRXNPFEDSA-N 0 0 453.561 3.703 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639288 1070895775 /nfs/dbraw/zinc/89/57/75/1070895775.db2.gz PTXNYCGFHXOTPT-WBVHZDCISA-N 0 0 450.488 3.891 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639285 1070896381 /nfs/dbraw/zinc/89/63/81/1070896381.db2.gz PTXNYCGFHXOTPT-NVXWUHKLSA-N 0 0 450.488 3.891 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1C ZINC001309649821 1070902408 /nfs/dbraw/zinc/90/24/08/1070902408.db2.gz QRQPMXRFOQGUDV-RDJZCZTQSA-N 0 0 455.577 3.916 20 5 JHBDRN COC(=O)Nc1ccc(S(=O)(=O)Oc2c(F)cccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC001309667161 1070912655 /nfs/dbraw/zinc/91/26/55/1070912655.db2.gz HFTOCPBFNOYFGQ-UHFFFAOYSA-N 0 0 454.310 3.579 20 5 JHBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC001309692134 1070925509 /nfs/dbraw/zinc/92/55/09/1070925509.db2.gz LGHICIWYMOOUGX-GHMZBOCLSA-N 0 0 453.344 3.890 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC001309752033 1070953220 /nfs/dbraw/zinc/95/32/20/1070953220.db2.gz DOOGTTPSAHKKRZ-LJQANCHMSA-N 0 0 452.488 3.744 20 5 JHBDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001309770147 1070960997 /nfs/dbraw/zinc/96/09/97/1070960997.db2.gz NOEPMYXIBFGMAH-YOWGUQMCSA-N 0 0 459.952 3.705 20 5 JHBDRN CC(C)(C)OC(=O)N1CC[C@@]2(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCC[C@@H]12 ZINC001309835268 1070990587 /nfs/dbraw/zinc/99/05/87/1070990587.db2.gz FQQOWBDSOWPCCR-VQIMIIECSA-N 0 0 459.952 3.706 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001309844381 1070993976 /nfs/dbraw/zinc/99/39/76/1070993976.db2.gz ZAHCVBIDIKLKLK-UHFFFAOYSA-N 0 0 459.446 3.858 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cnn(C)c2)n1CCCCNC(=O)OC(C)(C)C ZINC001314750537 1071002496 /nfs/dbraw/zinc/00/24/96/1071002496.db2.gz WQYLEVSYZFWFGP-UHFFFAOYSA-N 0 0 484.561 3.528 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCCCC1 ZINC001314750737 1071002515 /nfs/dbraw/zinc/00/25/15/1071002515.db2.gz ZGJFOZNOBUTMMK-UHFFFAOYSA-N 0 0 479.541 3.555 20 5 JHBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001309899040 1071009430 /nfs/dbraw/zinc/00/94/30/1071009430.db2.gz NIVKWWJKWBFWHN-IERDGZPVSA-N 0 0 453.561 3.615 20 5 JHBDRN CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1nccs1 ZINC001314818999 1071130872 /nfs/dbraw/zinc/13/08/72/1071130872.db2.gz LWFFBBONIKOPDS-UHFFFAOYSA-N 0 0 472.571 3.778 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1 ZINC001314830011 1071159614 /nfs/dbraw/zinc/15/96/14/1071159614.db2.gz KVDAWVCJYYRYDT-UHFFFAOYSA-N 0 0 454.918 3.927 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCSC1 ZINC001314832053 1071164895 /nfs/dbraw/zinc/16/48/95/1071164895.db2.gz DBBQJVJAEBHLCB-INIZCTEOSA-N 0 0 486.623 3.610 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccn2)n1C[C@H]1CCCSC1 ZINC001314832049 1071164966 /nfs/dbraw/zinc/16/49/66/1071164966.db2.gz CXDXGWATQIOZEW-GOSISDBHSA-N 0 0 452.584 3.994 20 5 JHBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC001310159221 1071164179 /nfs/dbraw/zinc/16/41/79/1071164179.db2.gz DMEKGJPEDLZVLB-GOSISDBHSA-N 0 0 451.426 3.848 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1ccn(C)n1 ZINC001314834116 1071171883 /nfs/dbraw/zinc/17/18/83/1071171883.db2.gz RBSHKJSYYULQCM-FGZHOGPDSA-N 0 0 481.601 3.760 20 5 JHBDRN CCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1NC(=O)CC1(C)C ZINC001313789663 1071180544 /nfs/dbraw/zinc/18/05/44/1071180544.db2.gz QPVRZEKKFRYZOE-LJQANCHMSA-N 0 0 468.583 3.899 20 5 JHBDRN CCN(CCn1c(C2CC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC001313809166 1071236070 /nfs/dbraw/zinc/23/60/70/1071236070.db2.gz GBGDXGDAIAHFAT-UHFFFAOYSA-N 0 0 485.589 3.647 20 5 JHBDRN CN(CCn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001314865426 1071266615 /nfs/dbraw/zinc/26/66/15/1071266615.db2.gz JXZKQDUGIYNBTL-LJQANCHMSA-N 0 0 488.589 3.626 20 5 JHBDRN CCn1cccc(Cn2c(CC(C)(C)C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])c1=O ZINC001313851155 1071348302 /nfs/dbraw/zinc/34/83/02/1071348302.db2.gz YWTFBYPSJLLYGV-UHFFFAOYSA-N 0 0 452.559 3.684 20 5 JHBDRN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1sccc1Br ZINC001314950228 1071417626 /nfs/dbraw/zinc/41/76/26/1071417626.db2.gz KTYDXWVVHPLSKR-GFCCVEGCSA-N 0 0 493.387 3.544 20 5 JHBDRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1cccnc1)C(C)C ZINC001314952478 1071423249 /nfs/dbraw/zinc/42/32/49/1071423249.db2.gz SMSYECVXGHMOBR-UWJYYQICSA-N 0 0 465.558 3.506 20 5 JHBDRN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001314030228 1071801430 /nfs/dbraw/zinc/80/14/30/1071801430.db2.gz WZOSUUYRHPYZDS-TZIWHRDSSA-N 0 0 488.589 3.875 20 5 JHBDRN CCO[C@@H](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1)C(C)C ZINC001314061676 1071899105 /nfs/dbraw/zinc/89/91/05/1071899105.db2.gz IDMAXBAMQCIQNF-FQEVSTJZSA-N 0 0 459.547 3.694 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@]12CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1CCCC2 ZINC001305950355 1068273418 /nfs/dbraw/zinc/27/34/18/1068273418.db2.gz DMGNNDBELYCPIH-IVZQSRNASA-N 0 0 451.495 3.656 20 5 JHBDRN CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)s1 ZINC001306003135 1068377575 /nfs/dbraw/zinc/37/75/75/1068377575.db2.gz LSHLPCNPIUTEMX-NYHFZMIOSA-N 0 0 472.571 3.529 20 5 JHBDRN C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001310507474 1068989950 /nfs/dbraw/zinc/98/99/50/1068989950.db2.gz OFYYPPYEOZGGMM-NSHDSACASA-N 0 0 456.318 3.686 20 5 JHBDRN CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001306467024 1069007003 /nfs/dbraw/zinc/00/70/03/1069007003.db2.gz OGZPHEDTBWLVTO-RNGZTFIZSA-N 0 0 495.628 3.636 20 5 JHBDRN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nccs2)C1 ZINC001306500837 1069062120 /nfs/dbraw/zinc/06/21/20/1069062120.db2.gz SGPGAJGGBUCLLC-SFHVURJKSA-N 0 0 483.598 3.828 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306531367 1069172273 /nfs/dbraw/zinc/17/22/73/1069172273.db2.gz QUHCIIXXSBIKBO-QHCPKHFHSA-N 0 0 485.976 3.779 20 5 JHBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1[C@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC001311064291 1069262320 /nfs/dbraw/zinc/26/23/20/1069262320.db2.gz OEDQUQLGPDMLAJ-MOPGFXCFSA-N 0 0 454.483 3.750 20 5 JHBDRN CCCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CCC1 ZINC001306598942 1069275139 /nfs/dbraw/zinc/27/51/39/1069275139.db2.gz LXXABTDEUYGZMI-GOSISDBHSA-N 0 0 490.630 3.589 20 5 JHBDRN CCC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)CCO1 ZINC001306619772 1069304247 /nfs/dbraw/zinc/30/42/47/1069304247.db2.gz ZKPILSDUMMBZPI-NRFANRHFSA-N 0 0 470.574 3.651 20 5 JHBDRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2 ZINC001164663311 719362503 /nfs/dbraw/zinc/36/25/03/719362503.db2.gz JJMOFYAELHLSAR-ZDUSSCGKSA-N 0 0 479.875 3.612 20 5 JHBDRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]2C1=O ZINC001164861759 721025330 /nfs/dbraw/zinc/02/53/30/721025330.db2.gz PHMDGEBGEHAUPT-PVAVHDDUSA-N 0 0 472.920 3.536 20 5 JHBDRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1=O ZINC001164858833 721026837 /nfs/dbraw/zinc/02/68/37/721026837.db2.gz HQMOYROFXMGFTP-PVAVHDDUSA-N 0 0 472.920 3.536 20 5 JHBDRN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164875133 721223303 /nfs/dbraw/zinc/22/33/03/721223303.db2.gz WRYAIMKKWCVXIR-INIZCTEOSA-N 0 0 497.930 3.674 20 5 JHBDRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]2C)C1=O ZINC001164777953 721322966 /nfs/dbraw/zinc/32/29/66/721322966.db2.gz NTMQCXMZTIQODM-ZUOKHONESA-N 0 0 465.888 3.945 20 5 JHBDRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)O1 ZINC001164886687 721460091 /nfs/dbraw/zinc/46/00/91/721460091.db2.gz IGWYBSYJYSAMRI-OTWHNJEPSA-N 0 0 493.898 3.513 20 5 JHBDRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)C1=O ZINC001164893990 721471743 /nfs/dbraw/zinc/47/17/43/721471743.db2.gz LFZBUVIZZDWXKT-UHFFFAOYSA-N 0 0 450.873 3.989 20 5 JHBDRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164894035 721475008 /nfs/dbraw/zinc/47/50/08/721475008.db2.gz MSHQNKQXKVOZDO-LJQANCHMSA-N 0 0 451.861 3.745 20 5 JHBDRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)N1Cc1ccncc1 ZINC001164896026 721506231 /nfs/dbraw/zinc/50/62/31/721506231.db2.gz GPBDRXWBMBRFGL-UHFFFAOYSA-N 0 0 451.861 3.745 20 5 JHBDRN O=C1CCC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)N1Cc1ccncc1 ZINC001164896132 721506239 /nfs/dbraw/zinc/50/62/39/721506239.db2.gz HFLJVKSDIZMZEP-UHFFFAOYSA-N 0 0 451.861 3.745 20 5 JHBDRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164902300 721571604 /nfs/dbraw/zinc/57/16/04/721571604.db2.gz JOCLNAIRPNLYKG-HNNXBMFYSA-N 0 0 465.888 3.945 20 5 JHBDRN O=C1[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@@H]2CN1c1cccnc1 ZINC001165026489 721793330 /nfs/dbraw/zinc/79/33/30/721793330.db2.gz ZDYKLRGOBNJYFB-PBHICJAKSA-N 0 0 486.866 3.744 20 5 JHBDRN C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001165037714 721895784 /nfs/dbraw/zinc/89/57/84/721895784.db2.gz XVOSTWRIUYHFEV-CQSZACIVSA-N 0 0 490.973 3.523 20 5 JHBDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12 ZINC001164944182 721965450 /nfs/dbraw/zinc/96/54/50/721965450.db2.gz HRCMDRHIRMLEOJ-QUCCMNQESA-N 0 0 450.873 3.957 20 5 JHBDRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc([N+](=O)[O-])c5)c4)C[C@H]3C2=O)cn1 ZINC001164980789 722096409 /nfs/dbraw/zinc/09/64/09/722096409.db2.gz MUKIVSVYTWXQKQ-IFXJQAMLSA-N 0 0 488.882 3.688 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987062 722179024 /nfs/dbraw/zinc/17/90/24/722179024.db2.gz MDZWALZYRYMUIG-XLIONFOSSA-N 0 0 474.974 3.826 20 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CCO[C@H](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1)C(C)C ZINC001314061678 1071899168 /nfs/dbraw/zinc/89/91/68/1071899168.db2.gz IDMAXBAMQCIQNF-HXUWFJFHSA-N 0 0 459.547 3.694 20 5 JHBDRN CCO[C@H](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)C(C)C ZINC001314063109 1071903284 /nfs/dbraw/zinc/90/32/84/1071903284.db2.gz OOTBTAAMDLUKJX-BHIFYINESA-N 0 0 473.574 3.689 20 5 JHBDRN CCO[C@]1(c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2CCC=CO2)CCOC1 ZINC001314102413 1071987677 /nfs/dbraw/zinc/98/76/77/1071987677.db2.gz XMPFIUDJPSIWRW-XUZZJYLKSA-N 0 0 471.558 3.946 20 5 JHBDRN CCc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)o1 ZINC001306006627 1068385617 /nfs/dbraw/zinc/38/56/17/1068385617.db2.gz XYHAWLNNRFSZED-SJCJKPOMSA-N 0 0 480.447 3.916 20 5 JHBDRN CCc1nc(Cn2c(CC(C)C)nnc2N2CCN(c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC001306038895 1068448156 /nfs/dbraw/zinc/44/81/56/1068448156.db2.gz XKNWBBUIKANQSL-UHFFFAOYSA-N 0 0 455.588 3.779 20 5 JHBDRN CCc1nn(C)c(OC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001306051076 1068484223 /nfs/dbraw/zinc/48/42/23/1068484223.db2.gz UPMBIXNAJVQAFO-DEOSSOPVSA-N 0 0 483.573 3.602 20 5 JHBDRN CC(C)(C)OC(=O)N[C@H]1CC2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)Oc2ccccc21 ZINC001306082923 1068512405 /nfs/dbraw/zinc/51/24/05/1068512405.db2.gz FBQZOJNGXLJIAF-KRWDZBQOSA-N 0 0 456.499 3.946 20 5 JHBDRN CCc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1CCn1cc([C@H]2CCOC2)cn1 ZINC001306098682 1068517684 /nfs/dbraw/zinc/51/76/84/1068517684.db2.gz KGYRIDHXEGUOLY-IBGZPJMESA-N 0 0 453.547 3.564 20 5 JHBDRN CCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCSCc1ccccc1F ZINC001306141048 1068542187 /nfs/dbraw/zinc/54/21/87/1068542187.db2.gz RTQPYHZEQFAXIV-UHFFFAOYSA-N 0 0 459.551 3.859 20 5 JHBDRN CCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCCCc1nc(C)cs1 ZINC001306192668 1068583739 /nfs/dbraw/zinc/58/37/39/1068583739.db2.gz HTLCEUQKYSLWDG-UHFFFAOYSA-N 0 0 455.588 3.863 20 5 JHBDRN CC[C@@H]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306310037 1068728386 /nfs/dbraw/zinc/72/83/86/1068728386.db2.gz JTYJFKGTYAYHQW-AABGKKOBSA-N 0 0 475.615 3.594 20 5 JHBDRN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C1 ZINC001306501473 1069064654 /nfs/dbraw/zinc/06/46/54/1069064654.db2.gz WFVGNOXUKLZLTO-UYAOXDASSA-N 0 0 472.590 3.800 20 5 JHBDRN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2OCCC2(C)C)C1 ZINC001306517039 1069125359 /nfs/dbraw/zinc/12/53/59/1069125359.db2.gz FXEVBQPIRCHBAS-GHTZIAJQSA-N 0 0 484.601 3.801 20 5 JHBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001310713692 1069128580 /nfs/dbraw/zinc/12/85/80/1069128580.db2.gz RZWKMRXSXAEJEK-UHFFFAOYSA-N 0 0 454.180 3.655 20 5 JHBDRN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccs2)C1 ZINC001306520956 1069143014 /nfs/dbraw/zinc/14/30/14/1069143014.db2.gz WQTLCOXWCDPRBA-KRWDZBQOSA-N 0 0 483.598 3.685 20 5 JHBDRN CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001306540363 1069188661 /nfs/dbraw/zinc/18/86/61/1069188661.db2.gz BSTNIMZPPDWKAH-VWLOTQADSA-N 0 0 480.569 3.771 20 5 JHBDRN COC(=O)c1ccc(CNC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc1OC ZINC001310878675 1069205778 /nfs/dbraw/zinc/20/57/78/1069205778.db2.gz HGFIYVJILMGRIX-MRXNPFEDSA-N 0 0 459.352 3.632 20 5 JHBDRN CCC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC001306588506 1069256530 /nfs/dbraw/zinc/25/65/30/1069256530.db2.gz CRZUTHHLLRMEHY-WIYYLYMNSA-N 0 0 458.563 3.570 20 5 JHBDRN CN(C)C(=O)c1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c(F)c1 ZINC001311051219 1069258789 /nfs/dbraw/zinc/25/87/89/1069258789.db2.gz SBBUFMGQDNULKK-IYARVYRRSA-N 0 0 458.490 3.773 20 5 JHBDRN CCC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)OC ZINC001306591336 1069260995 /nfs/dbraw/zinc/26/09/95/1069260995.db2.gz NAUXVTZBQMVBBA-NRFANRHFSA-N 0 0 471.537 3.769 20 5 JHBDRN CSc1nc(Cl)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001164672650 719509835 /nfs/dbraw/zinc/50/98/35/719509835.db2.gz MAVRQCDXNVIOFC-UHFFFAOYSA-N 0 0 467.954 3.771 20 5 JHBDRN O=C1COC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)CN1c1ccccc1 ZINC001164696905 719835900 /nfs/dbraw/zinc/83/59/00/719835900.db2.gz VSVDKNFULLEUCV-UHFFFAOYSA-N 0 0 452.845 3.591 20 5 JHBDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821812 720388386 /nfs/dbraw/zinc/38/83/86/720388386.db2.gz IUNWTCLMXSQLKR-ARFHVFGLSA-N 0 0 460.890 3.906 20 5 JHBDRN CN1C[C@H](COCC2CC2)[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1=O ZINC001164864632 721026754 /nfs/dbraw/zinc/02/67/54/721026754.db2.gz YRFDHEXRIFHLHR-BZUAXINKSA-N 0 0 472.920 3.536 20 5 JHBDRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164877525 721296502 /nfs/dbraw/zinc/29/65/02/721296502.db2.gz NMKXUODBOVWLSP-BLLLJJGKSA-N 0 0 472.901 3.617 20 5 JHBDRN 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O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001311374714 1069349560 /nfs/dbraw/zinc/34/95/60/1069349560.db2.gz OLYVIJKEYCSFRI-REWPJTCUSA-N 0 0 456.518 3.696 20 5 JHBDRN COc1cc(OC)cc([C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC001311473249 1069395116 /nfs/dbraw/zinc/39/51/16/1069395116.db2.gz SGCNNPHTAJOBIY-HXUWFJFHSA-N 0 0 453.499 3.669 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC001311549092 1069434582 /nfs/dbraw/zinc/43/45/82/1069434582.db2.gz WQPMENGJYPUFIC-WMLDXEAASA-N 0 0 456.421 3.916 20 5 JHBDRN CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001306706263 1069441375 /nfs/dbraw/zinc/44/13/75/1069441375.db2.gz ZBKJKXIHPPAHLP-UHFFFAOYSA-N 0 0 471.587 3.625 20 5 JHBDRN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306852476 1069659742 /nfs/dbraw/zinc/65/97/42/1069659742.db2.gz VQIMMBIHUBFEDC-SNVBAGLBSA-N 0 0 456.655 3.685 20 5 JHBDRN 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COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc(Br)c2[N+](=O)[O-])c1 ZINC001309798320 1070973109 /nfs/dbraw/zinc/97/31/09/1070973109.db2.gz YVQSLWQPUYJDMZ-UHFFFAOYSA-N 0 0 450.650 3.565 20 5 JHBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC001309818461 1070982283 /nfs/dbraw/zinc/98/22/83/1070982283.db2.gz KRJYSVHDDDEWTG-UHFFFAOYSA-N 0 0 455.464 3.568 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)c[nH]2)n1CCC1(O)CCC1 ZINC001314749405 1070999820 /nfs/dbraw/zinc/99/98/20/1070999820.db2.gz MEJFRZKASJZWQT-UHFFFAOYSA-N 0 0 475.347 3.885 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001314750232 1071001946 /nfs/dbraw/zinc/00/19/46/1071001946.db2.gz UGYSCJGBYFCASS-LJQANCHMSA-N 0 0 482.507 3.743 20 5 JHBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001309899042 1071009308 /nfs/dbraw/zinc/00/93/08/1071009308.db2.gz NIVKWWJKWBFWHN-KKSFZXQISA-N 0 0 453.561 3.615 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001309955081 1071028260 /nfs/dbraw/zinc/02/82/60/1071028260.db2.gz PTNDCJFAEOFHMZ-QGZVFWFLSA-N 0 0 455.577 3.917 20 5 JHBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN[C@H](c2ccccc2Cl)C1 ZINC001309972362 1071032973 /nfs/dbraw/zinc/03/29/73/1071032973.db2.gz VOKMHGKOQGSKJX-AWEZNQCLSA-N 0 0 450.731 3.890 20 5 JHBDRN CCOC(=O)Cc1csc(NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC001309982821 1071039240 /nfs/dbraw/zinc/03/92/40/1071039240.db2.gz SXZVSZNHPYSXBV-ZDUSSCGKSA-N 0 0 450.370 3.721 20 5 JHBDRN CN(C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2cn[nH]c2)C1)C(=O)OC(C)(C)C ZINC001314811944 1071107419 /nfs/dbraw/zinc/10/74/19/1071107419.db2.gz QFHNMXBOJVLNTL-GOSISDBHSA-N 0 0 496.572 3.512 20 5 JHBDRN CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2CCOC2)C1)CC(F)(F)F ZINC001313783906 1071152578 /nfs/dbraw/zinc/15/25/78/1071152578.db2.gz DCDZRKUGCXSBPI-MSOLQXFVSA-N 0 0 496.534 3.990 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccn2C)n1CCOc1ccc(Cl)cn1 ZINC001314829656 1071159657 /nfs/dbraw/zinc/15/96/57/1071159657.db2.gz IJTDIAMEDDULFF-UHFFFAOYSA-N 0 0 481.944 3.998 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001314830071 1071161053 /nfs/dbraw/zinc/16/10/53/1071161053.db2.gz MGFFOSPVWUEIST-RCZSKKKRSA-N 0 0 484.601 3.658 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001314830360 1071161648 /nfs/dbraw/zinc/16/16/48/1071161648.db2.gz PZYQGVFSHTXYTE-UHFFFAOYSA-N 0 0 456.591 3.954 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cccn2C)n1C[C@H]1CSCCS1 ZINC001314831891 1071164316 /nfs/dbraw/zinc/16/43/16/1071164316.db2.gz IKSVLYYATSZJAU-KRWDZBQOSA-N 0 0 458.613 3.719 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCOC2)n1CCCC1CCOCC1 ZINC001314832575 1071166957 /nfs/dbraw/zinc/16/69/57/1071166957.db2.gz FJGCBIBFXQVKCG-OAQYLSRUSA-N 0 0 457.575 3.966 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccn2)n1CCC1CCOCC1 ZINC001314833137 1071168373 /nfs/dbraw/zinc/16/83/73/1071168373.db2.gz HZHAQQXIZKUVFN-UHFFFAOYSA-N 0 0 450.543 3.668 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccn2)n1CC(=O)N(C)C1CCCCC1 ZINC001314832987 1071168464 /nfs/dbraw/zinc/16/84/64/1071168464.db2.gz OOUIQCZBIJWZMM-UHFFFAOYSA-N 0 0 477.569 3.718 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(Cl)nc1 ZINC001314833415 1071169992 /nfs/dbraw/zinc/16/99/92/1071169992.db2.gz RQTYDFAZRALOLI-UHFFFAOYSA-N 0 0 492.927 3.609 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@H](F)C1 ZINC001314834643 1071174310 /nfs/dbraw/zinc/17/43/10/1071174310.db2.gz VSWVBCKLMYGZHT-WMZOPIPTSA-N 0 0 486.573 3.995 20 5 JHBDRN CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2OCC[C@H]2C)C1)CC(F)(F)F ZINC001313789558 1071179671 /nfs/dbraw/zinc/17/96/71/1071179671.db2.gz XXWGVGHWMHLABE-FUHIMQAGSA-N 0 0 496.534 3.989 20 5 JHBDRN CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CCOCC2)C1)CC(F)(F)F ZINC001314850179 1071214662 /nfs/dbraw/zinc/21/46/62/1071214662.db2.gz WWMXWTAZNDKNND-IBGZPJMESA-N 0 0 496.534 3.990 20 5 JHBDRN CN(CCn1c(Cc2ccccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001314863415 1071260293 /nfs/dbraw/zinc/26/02/93/1071260293.db2.gz STWNTNJERPXXOW-UHFFFAOYSA-N 0 0 495.584 3.718 20 5 JHBDRN CN(CCS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001314885705 1071314284 /nfs/dbraw/zinc/31/42/84/1071314284.db2.gz FKPDFOZROLVWAM-HNNXBMFYSA-N 0 0 471.530 3.550 20 5 JHBDRN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC001310469482 1071411110 /nfs/dbraw/zinc/41/11/10/1071411110.db2.gz AGOMKOCTJBWJOP-QGZVFWFLSA-N 0 0 450.417 3.969 20 5 JHBDRN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1cccnc1)C(C)C ZINC001314952474 1071423141 /nfs/dbraw/zinc/42/31/41/1071423141.db2.gz SMSYECVXGHMOBR-LAUBAEHRSA-N 0 0 465.558 3.506 20 5 JHBDRN CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C)n2)CC1 ZINC001314013031 1071749714 /nfs/dbraw/zinc/74/97/14/1071749714.db2.gz CRLHNRUPJYUBIS-UHFFFAOYSA-N 0 0 499.597 3.918 20 5 JHBDRN CCO[C@@]1(c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC2CC(F)(F)C2)CCOC1 ZINC001314089519 1071965687 /nfs/dbraw/zinc/96/56/87/1071965687.db2.gz ICJYKHWFIVRSID-NRFANRHFSA-N 0 0 465.501 3.563 20 5 JHBDRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001305946373 1068261011 /nfs/dbraw/zinc/26/10/11/1068261011.db2.gz OAZGVFUWPKHVTI-SCLBCKFNSA-N 0 0 459.886 3.962 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]1CCCC2 ZINC001305950356 1068273405 /nfs/dbraw/zinc/27/34/05/1068273405.db2.gz DMGNNDBELYCPIH-NYHFZMIOSA-N 0 0 451.495 3.656 20 5 JHBDRN CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)s1 ZINC001306003131 1068377594 /nfs/dbraw/zinc/37/75/94/1068377594.db2.gz LSHLPCNPIUTEMX-IVZQSRNASA-N 0 0 472.571 3.529 20 5 JHBDRN CCc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)o1 ZINC001306006630 1068385560 /nfs/dbraw/zinc/38/55/60/1068385560.db2.gz XYHAWLNNRFSZED-SJKOYZFVSA-N 0 0 480.447 3.916 20 5 JHBDRN CCc1nn(C)c(CC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)C[C@H]1CCCO1 ZINC001306042444 1068457907 /nfs/dbraw/zinc/45/79/07/1068457907.db2.gz BGIXRQGMGWPXEX-LJQANCHMSA-N 0 0 467.574 3.765 20 5 JHBDRN CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1Cc1cccnc1OCC(F)(F)F ZINC001306086392 1068513934 /nfs/dbraw/zinc/51/39/34/1068513934.db2.gz HHZUOMZZQKBZIJ-UHFFFAOYSA-N 0 0 464.448 3.812 20 5 JHBDRN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CCO1 ZINC001306401518 1068861550 /nfs/dbraw/zinc/86/15/50/1068861550.db2.gz NIUBICLUAFNHRS-APWZRJJASA-N 0 0 474.562 3.724 20 5 JHBDRN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C)CC(F)(F)F)C[C@@H](C)O1 ZINC001306405206 1068871569 /nfs/dbraw/zinc/87/15/69/1068871569.db2.gz BTEDOSWFSFYHBD-QAPCUYQASA-N 0 0 470.496 3.741 20 5 JHBDRN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCCC2=O)C[C@H](C)O1 ZINC001306405869 1068875218 /nfs/dbraw/zinc/87/52/18/1068875218.db2.gz HNMWLLPLUJEBSL-RXVVDRJESA-N 0 0 470.574 3.650 20 5 JHBDRN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC[C@@H]2CCCO2)CCS1 ZINC001306406134 1068875607 /nfs/dbraw/zinc/87/56/07/1068875607.db2.gz JYPPFIFRHXWUGR-PMACEKPBSA-N 0 0 461.588 3.771 20 5 JHBDRN O=C(NC[C@H](O)c1cccc(Br)c1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001310508866 1068990876 /nfs/dbraw/zinc/99/08/76/1068990876.db2.gz VXVXGZCMGBDUTI-AWEZNQCLSA-N 0 0 459.094 3.975 20 5 JHBDRN CC/C=C/Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001306476976 1069017800 /nfs/dbraw/zinc/01/78/00/1069017800.db2.gz MOEKCFPAAKMDFV-SNAWJCMRSA-N 0 0 483.598 3.792 20 5 JHBDRN COc1cc(CCNC(=O)Nc2cc(C)c(Br)c(C)n2)c([N+](=O)[O-])cc1OC ZINC001310583275 1069030199 /nfs/dbraw/zinc/03/01/99/1069030199.db2.gz MRBXZADVDUVEJV-UHFFFAOYSA-N 0 0 453.293 3.751 20 5 JHBDRN CCOC(=O)C1([C@@H](C)NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCOCC1 ZINC001310659997 1069093050 /nfs/dbraw/zinc/09/30/50/1069093050.db2.gz UWOCGKPILGBEFD-GFCCVEGCSA-N 0 0 458.309 3.536 20 5 JHBDRN COC(=O)[C@](C)(CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC001310659943 1069093134 /nfs/dbraw/zinc/09/31/34/1069093134.db2.gz SRXCRQYVLWRDRF-LJQANCHMSA-N 0 0 450.289 3.918 20 5 JHBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC001310836783 1069186291 /nfs/dbraw/zinc/18/62/91/1069186291.db2.gz IVVJLQJPYNGUID-UHFFFAOYSA-N 0 0 455.368 3.994 20 5 JHBDRN CCOc1cc(NC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1[N+](=O)[O-] ZINC001310944398 1069230777 /nfs/dbraw/zinc/23/07/77/1069230777.db2.gz DVPXNFPJHNFEPQ-AWEZNQCLSA-N 0 0 452.389 3.939 20 5 JHBDRN CCCC(O)(CCC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306595457 1069268214 /nfs/dbraw/zinc/26/82/14/1069268214.db2.gz VIBNEYRLVIJWSK-UHFFFAOYSA-N 0 0 483.573 3.808 20 5 JHBDRN CCCC(O)(CCC)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001306595795 1069269292 /nfs/dbraw/zinc/26/92/92/1069269292.db2.gz ZCGXWCGDTYYNEQ-LJQANCHMSA-N 0 0 487.601 3.959 20 5 JHBDRN CCCc1nc(C)c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnn(C)c2)o1 ZINC001306606296 1069281172 /nfs/dbraw/zinc/28/11/72/1069281172.db2.gz FNXQGXHYUJWBMF-UHFFFAOYSA-N 0 0 450.503 3.520 20 5 JHBDRN CN(C)/C=C/c1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164670077 719522295 /nfs/dbraw/zinc/52/22/95/719522295.db2.gz AWNBBSYCOLETRN-JXMROGBWSA-N 0 0 455.534 3.533 20 5 JHBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164706359 719856273 /nfs/dbraw/zinc/85/62/73/719856273.db2.gz WOJVDSRPFGJDQM-MHECFPHRSA-N 0 0 454.958 3.669 20 5 JHBDRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)cn1 ZINC001164710113 720077907 /nfs/dbraw/zinc/07/79/07/720077907.db2.gz HNEBZPKQHOFHAF-OALUTQOASA-N 0 0 488.882 3.973 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164763843 721027149 /nfs/dbraw/zinc/02/71/49/721027149.db2.gz MBLVXQHEZNBDJB-KXBFYZLASA-N 0 0 454.861 3.928 20 5 JHBDRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164902926 721577339 /nfs/dbraw/zinc/57/73/39/721577339.db2.gz NJQVBBSYVVUXCJ-SFHVURJKSA-N 0 0 485.919 3.952 20 5 JHBDRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164903674 721577661 /nfs/dbraw/zinc/57/76/61/721577661.db2.gz RCTSDVWCXVODGY-QGZVFWFLSA-N 0 0 485.919 3.952 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cnc1Cl ZINC001164913198 721802023 /nfs/dbraw/zinc/80/20/23/721802023.db2.gz AYADOJWAUWTSBO-INIZCTEOSA-N 0 0 460.819 3.720 20 5 JHBDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12 ZINC001164944183 721965622 /nfs/dbraw/zinc/96/56/22/721965622.db2.gz HRCMDRHIRMLEOJ-UYAOXDASSA-N 0 0 450.873 3.957 20 5 JHBDRN Cc1nc(Cn2c(=O)ccc3c2CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cs1 ZINC001164949829 722006932 /nfs/dbraw/zinc/00/69/32/722006932.db2.gz AHIWAPLCGTWPIX-UHFFFAOYSA-N 0 0 481.912 3.768 20 5 JHBDRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001164976462 722097269 /nfs/dbraw/zinc/09/72/69/722097269.db2.gz HCWIKHNWXIKSDS-JKIFEVAISA-N 0 0 451.861 3.734 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)CC[C@@H]32)cs1 ZINC001164991047 722175101 /nfs/dbraw/zinc/17/51/01/722175101.db2.gz XDOUROPDCAEPAI-RDJZCZTQSA-N 0 0 473.933 3.823 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)nn4)CC[C@@H]32)cs1 ZINC001164985095 722184396 /nfs/dbraw/zinc/18/43/96/722184396.db2.gz AABTUOMKRZOVRA-GMAHTHKFSA-N 0 0 480.594 3.995 20 5 JHBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001165007013 722269762 /nfs/dbraw/zinc/26/97/62/722269762.db2.gz SZRVVHUWOIPUJS-DEOSSOPVSA-N 0 0 496.930 3.772 20 5 JHBDRN CCn1c(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc2ccccc21 ZINC001311546749 1069433104 /nfs/dbraw/zinc/43/31/04/1069433104.db2.gz XZFBVFVVCCQXJC-UHFFFAOYSA-N 0 0 458.316 3.995 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001311548125 1069433566 /nfs/dbraw/zinc/43/35/66/1069433566.db2.gz JPLARUPWEUBHRJ-FUHWJXTLSA-N 0 0 466.460 3.833 20 5 JHBDRN CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001306714391 1069445571 /nfs/dbraw/zinc/44/55/71/1069445571.db2.gz HBPIMMOGVIVQJM-UHFFFAOYSA-N 0 0 451.531 3.595 20 5 JHBDRN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001306710922 1069444265 /nfs/dbraw/zinc/44/42/65/1069444265.db2.gz QSJJUNYNNPSQPC-SFHVURJKSA-N 0 0 452.294 3.574 20 5 JHBDRN CCCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](COC)C2)c(C)n1 ZINC001306717131 1069449219 /nfs/dbraw/zinc/44/92/19/1069449219.db2.gz JYXWKTPTOOJJNL-SFHVURJKSA-N 0 0 453.547 3.679 20 5 JHBDRN CCCCn1cc(Cn2c(C(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC001306718925 1069452260 /nfs/dbraw/zinc/45/22/60/1069452260.db2.gz RMBSHTRBBYLKRG-UHFFFAOYSA-N 0 0 455.567 3.701 20 5 JHBDRN COc1cc(CCNC(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC ZINC001311593394 1069455307 /nfs/dbraw/zinc/45/53/07/1069455307.db2.gz DDIJJAWOUWOGGL-HXUWFJFHSA-N 0 0 456.543 3.773 20 5 JHBDRN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001311608494 1069460801 /nfs/dbraw/zinc/46/08/01/1069460801.db2.gz DHQFDBGATPBYGO-LSDHHAIUSA-N 0 0 450.333 3.877 20 5 JHBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001311661622 1069492173 /nfs/dbraw/zinc/49/21/73/1069492173.db2.gz ZVZJSGHVKCIHHN-WMZOPIPTSA-N 0 0 456.465 3.502 20 5 JHBDRN CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001311789201 1069545706 /nfs/dbraw/zinc/54/57/06/1069545706.db2.gz QHCLXJWVETYUCJ-WBVHZDCISA-N 0 0 454.593 3.562 20 5 JHBDRN CC(C)[C@H](CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001311944468 1069625720 /nfs/dbraw/zinc/62/57/20/1069625720.db2.gz NAXRIXOTMPDNNC-AWEZNQCLSA-N 0 0 459.341 3.706 20 5 JHBDRN COCCNC(=O)c1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c1 ZINC001306840889 1069654308 /nfs/dbraw/zinc/65/43/08/1069654308.db2.gz LIQVZNGOMSLPPO-UHFFFAOYSA-N 0 0 456.680 3.639 20 5 JHBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001311996591 1069657598 /nfs/dbraw/zinc/65/75/98/1069657598.db2.gz BPARSVNUVDPYBB-HNNXBMFYSA-N 0 0 456.808 3.872 20 5 JHBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N[C@@H]3C[C@H]3[C@@H]3C[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC001306898105 1069677659 /nfs/dbraw/zinc/67/76/59/1069677659.db2.gz POUNMIYJWPJYJC-WMIGDMCZSA-N 0 0 472.567 3.585 20 5 JHBDRN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(Br)cn4)CC3)c2c1 ZINC001306960474 1069689856 /nfs/dbraw/zinc/68/98/56/1069689856.db2.gz SVSOEOOECIAGOG-UHFFFAOYSA-N 0 0 459.260 3.535 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001306960737 1069689879 /nfs/dbraw/zinc/68/98/79/1069689879.db2.gz UPXSVIBBUNFXOR-CTNGQTDRSA-N 0 0 459.568 3.829 20 5 JHBDRN Cc1ccc(NCCCNC(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c([N+](=O)[O-])c1 ZINC001312057300 1069696816 /nfs/dbraw/zinc/69/68/16/1069696816.db2.gz AQSYAHRLEZAUHY-XMMPIXPASA-N 0 0 452.511 3.915 20 5 JHBDRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC001312121195 1069732383 /nfs/dbraw/zinc/73/23/83/1069732383.db2.gz DKLMVMNRRXCUNA-MRXNPFEDSA-N 0 0 451.483 3.826 20 5 JHBDRN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001312151401 1069749805 /nfs/dbraw/zinc/74/98/05/1069749805.db2.gz BOPLAMOABBVQMK-UHFFFAOYSA-N 0 0 458.946 3.667 20 5 JHBDRN O=C(NCc1ccccc1-n1cccn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001312322255 1069862758 /nfs/dbraw/zinc/86/27/58/1069862758.db2.gz PPRSOWLBEXPAQM-UHFFFAOYSA-N 0 0 456.300 3.811 20 5 JHBDRN O=C1C[C@@H](CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001307086697 1069888723 /nfs/dbraw/zinc/88/87/23/1069888723.db2.gz FRJJFAQFYAHVQV-HNNXBMFYSA-N 0 0 455.312 3.788 20 5 JHBDRN CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001307169350 1069903098 /nfs/dbraw/zinc/90/30/98/1069903098.db2.gz MGHPUGLODQTFJG-HXUWFJFHSA-N 0 0 453.511 3.938 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC[C@](O)(c2ccccc2)C1 ZINC001307169141 1069903169 /nfs/dbraw/zinc/90/31/69/1069903169.db2.gz ZCVULOFADFHPAZ-HSZRJFAPSA-N 0 0 459.568 3.648 20 5 JHBDRN CCOC(=O)c1ccnc(NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001307200135 1069906499 /nfs/dbraw/zinc/90/64/99/1069906499.db2.gz JBYFLFNPFOQGHU-QGZVFWFLSA-N 0 0 456.499 3.940 20 5 JHBDRN CCOc1ncccc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001314232222 1069920402 /nfs/dbraw/zinc/92/04/02/1069920402.db2.gz VPLQXJNZQHZUCP-FQEVSTJZSA-N 0 0 466.542 3.947 20 5 JHBDRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC001307317948 1069943681 /nfs/dbraw/zinc/94/36/81/1069943681.db2.gz RBHJVDAUKYQEEU-UHFFFAOYSA-N 0 0 455.492 3.917 20 5 JHBDRN C[C@H](NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC001312455316 1069948886 /nfs/dbraw/zinc/94/88/86/1069948886.db2.gz VTJKOAUEEHDJFU-DZGCQCFKSA-N 0 0 450.417 3.775 20 5 JHBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001312471794 1069958160 /nfs/dbraw/zinc/95/81/60/1069958160.db2.gz WUNOKKKJWZYNFC-UHFFFAOYSA-N 0 0 458.323 3.664 20 5 JHBDRN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC(C)(C)C)C1(C)C ZINC001314244948 1069958633 /nfs/dbraw/zinc/95/86/33/1069958633.db2.gz QLWBCKBHVAIBIK-RTBURBONSA-N 0 0 472.590 3.798 20 5 JHBDRN CCOC1CC(O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CC[C@H](SCC)C2)C1 ZINC001314262618 1070005515 /nfs/dbraw/zinc/00/55/15/1070005515.db2.gz YNAFPNFMEKCDEZ-XUZYKVAZSA-N 0 0 475.615 3.894 20 5 JHBDRN Cc1c2ccccc2sc1C(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC001307486444 1070011956 /nfs/dbraw/zinc/01/19/56/1070011956.db2.gz GUZNRHMHYQRISQ-UHFFFAOYSA-N 0 0 452.536 3.823 20 5 JHBDRN Cc1c(NC(=O)[C@H](C)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001307500496 1070019524 /nfs/dbraw/zinc/01/95/24/1070019524.db2.gz DUZKLYAWQMCCRD-WBVHZDCISA-N 0 0 458.946 3.659 20 5 JHBDRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307500847 1070019538 /nfs/dbraw/zinc/01/95/38/1070019538.db2.gz TWCUDZASEVUYAG-CYBMUJFWSA-N 0 0 452.271 3.980 20 5 JHBDRN COc1ccc(F)cc1-c1cncc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001307531839 1070038653 /nfs/dbraw/zinc/03/86/53/1070038653.db2.gz XLNWCFVFAGCCQG-UHFFFAOYSA-N 0 0 450.470 3.763 20 5 JHBDRN O=[N+]([O-])c1cccc(CN2CCN(c3ccc(Br)cn3)CC2)c1Br ZINC001307562734 1070053548 /nfs/dbraw/zinc/05/35/48/1070053548.db2.gz NQCSZLVKAMSYCF-UHFFFAOYSA-N 0 0 456.138 3.837 20 5 JHBDRN COc1ccc(-c2nc(CN3CCN(C[C@@H](O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 ZINC001307568344 1070055771 /nfs/dbraw/zinc/05/57/71/1070055771.db2.gz BLFLKKVONXFJRB-JOCHJYFZSA-N 0 0 454.552 3.578 20 5 JHBDRN CCOC(=O)C1=C(CN[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307623720 1070085952 /nfs/dbraw/zinc/08/59/52/1070085952.db2.gz YXJLZHLCLVBJGA-XCLFUZPHSA-N 0 0 458.902 3.770 20 5 JHBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001307629482 1070089787 /nfs/dbraw/zinc/08/97/87/1070089787.db2.gz RZRVNBNKHWBWPM-NVXWUHKLSA-N 0 0 456.547 3.976 20 5 JHBDRN CCOCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCc1ccc(CC)cc1 ZINC001314347494 1070155173 /nfs/dbraw/zinc/15/51/73/1070155173.db2.gz ZDVSPJLCFNTQNQ-UHFFFAOYSA-N 0 0 453.547 3.566 20 5 JHBDRN CCOCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCC[C@@H]1OC ZINC001314349281 1070162742 /nfs/dbraw/zinc/16/27/42/1070162742.db2.gz OEGDDIBHUCJJLV-UWJYYQICSA-N 0 0 459.547 3.586 20 5 JHBDRN CCOCc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC1(C)CCOCC1 ZINC001314350187 1070166867 /nfs/dbraw/zinc/16/68/67/1070166867.db2.gz YVVPJAKENRNUMX-UHFFFAOYSA-N 0 0 459.547 3.587 20 5 JHBDRN CCOCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001314356650 1070177583 /nfs/dbraw/zinc/17/75/83/1070177583.db2.gz WHZDOKHQPUJJBP-UHFFFAOYSA-N 0 0 492.458 3.778 20 5 JHBDRN O=C(CN1CCN(c2cccc(Br)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001307761528 1070172817 /nfs/dbraw/zinc/17/28/17/1070172817.db2.gz SSWUAINCQFVNNH-UHFFFAOYSA-N 0 0 453.724 3.771 20 5 JHBDRN CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001314389663 1070241847 /nfs/dbraw/zinc/24/18/47/1070241847.db2.gz IVZCTKVRWUUAFU-WMZHIEFXSA-N 0 0 486.617 3.891 20 5 JHBDRN COC(=O)CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1 ZINC001307994823 1070273641 /nfs/dbraw/zinc/27/36/41/1070273641.db2.gz XIWJJOLYCJUNFZ-UHFFFAOYSA-N 0 0 454.508 3.722 20 5 JHBDRN NC(=O)[C@@H](C1CC1)N(CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015303 1070281408 /nfs/dbraw/zinc/28/14/08/1070281408.db2.gz MNERKXWKPSQOFV-RTWAWAEBSA-N 0 0 456.930 3.904 20 5 JHBDRN CCOC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC2CCCCC2)C1 ZINC001314416845 1070283247 /nfs/dbraw/zinc/28/32/47/1070283247.db2.gz BKBAIWPULGXTLH-GOSISDBHSA-N 0 0 470.574 3.555 20 5 JHBDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001313221233 1070297000 /nfs/dbraw/zinc/29/70/00/1070297000.db2.gz VZTXDIQUDLCPIS-LBPRGKRZSA-N 0 0 457.325 3.508 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308110578 1070315766 /nfs/dbraw/zinc/31/57/66/1070315766.db2.gz JUZJNWXLPWRWLJ-SPLOXXLWSA-N 0 0 452.939 3.956 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289879 1070317742 /nfs/dbraw/zinc/31/77/42/1070317742.db2.gz JKPJMABUUYDJOV-INIZCTEOSA-N 0 0 456.490 3.671 20 5 JHBDRN 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3.992 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCc2nc(-c3ccccn3)cs2)c2ncccc12 ZINC001309833253 1070989424 /nfs/dbraw/zinc/98/94/24/1070989424.db2.gz PYSQWWMRBNIIIF-UHFFFAOYSA-N 0 0 455.521 3.573 20 5 JHBDRN Cc1ccc(S(=O)(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC001309839604 1070991945 /nfs/dbraw/zinc/99/19/45/1070991945.db2.gz BIJQTDLFUUXKQL-UFYCRDLUSA-N 0 0 458.536 3.887 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCO2)n1CCn1cc(Br)cn1 ZINC001314750774 1071002419 /nfs/dbraw/zinc/00/24/19/1071002419.db2.gz ZPKDBTJCRIFPPK-GOSISDBHSA-N 0 0 490.362 3.724 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCC(F)F ZINC001314750522 1071002604 /nfs/dbraw/zinc/00/26/04/1071002604.db2.gz WMOFNNSVDSZULT-SFHVURJKSA-N 0 0 488.495 3.804 20 5 JHBDRN COC1(OC)CC2(CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2c2ccccc2)C1 ZINC001309881484 1071004186 /nfs/dbraw/zinc/00/41/86/1071004186.db2.gz URPABVRMSUJUPF-GOSISDBHSA-N 0 0 452.916 3.763 20 5 JHBDRN 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Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC001309307068 1070686664 /nfs/dbraw/zinc/68/66/64/1070686664.db2.gz LYDDPZBASCYGRC-OAQYLSRUSA-N 0 0 456.520 3.803 20 5 JHBDRN CC(=O)c1ccc(OS(=O)(=O)C2=Cc3cc(Br)ccc3OC2)c([N+](=O)[O-])c1 ZINC001309333988 1070705470 /nfs/dbraw/zinc/70/54/70/1070705470.db2.gz FWHWLSBICLEJGF-UHFFFAOYSA-N 0 0 454.254 3.702 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001309348837 1070713903 /nfs/dbraw/zinc/71/39/03/1070713903.db2.gz ISRBELASOAFEHQ-UHFFFAOYSA-N 0 0 456.805 3.628 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(F)cc1C ZINC001309360151 1070721975 /nfs/dbraw/zinc/72/19/75/1070721975.db2.gz AGBHSSGEVKKBBH-GOSISDBHSA-N 0 0 454.501 3.655 20 5 JHBDRN O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC001309367320 1070727905 /nfs/dbraw/zinc/72/79/05/1070727905.db2.gz RBLXRXJIWDVMNT-UHFFFAOYSA-N 0 0 456.274 3.619 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001309397961 1070745744 /nfs/dbraw/zinc/74/57/44/1070745744.db2.gz QJGLCQBFQZQHSX-CYBMUJFWSA-N 0 0 458.414 3.578 20 5 JHBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC001309408377 1070751346 /nfs/dbraw/zinc/75/13/46/1070751346.db2.gz NTFYIQPQJMMLJX-AMIZOPFISA-N 0 0 451.250 3.664 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC001309433480 1070766678 /nfs/dbraw/zinc/76/66/78/1070766678.db2.gz NBHLKVPTEJWHII-MRXNPFEDSA-N 0 0 454.932 3.527 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1C ZINC001309444660 1070775292 /nfs/dbraw/zinc/77/52/92/1070775292.db2.gz LCJKQYCTSINNQB-HNNXBMFYSA-N 0 0 454.346 3.531 20 5 JHBDRN CN(C)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001314662202 1070789008 /nfs/dbraw/zinc/78/90/08/1070789008.db2.gz FUMOYOBBMUAPSQ-UHFFFAOYSA-N 0 0 466.590 3.927 20 5 JHBDRN 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c1C ZINC001309685051 1070922203 /nfs/dbraw/zinc/92/22/03/1070922203.db2.gz DJXIVWLRCFDSLF-QGZVFWFLSA-N 0 0 455.330 3.736 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001309751564 1070953260 /nfs/dbraw/zinc/95/32/60/1070953260.db2.gz BJYAHAVOHLUWSU-SFHVURJKSA-N 0 0 452.488 3.744 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1C ZINC001309842662 1070993246 /nfs/dbraw/zinc/99/32/46/1070993246.db2.gz CXXCLLAOGVNIIM-UHFFFAOYSA-N 0 0 459.446 3.858 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCO1 ZINC001314750110 1071001382 /nfs/dbraw/zinc/00/13/82/1071001382.db2.gz HLGKKVSUORHLNW-CEXWTWQISA-N 0 0 486.573 3.772 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cccn2C)n1CCCNC(=O)OC(C)(C)C ZINC001314750805 1071002954 /nfs/dbraw/zinc/00/29/54/1071002954.db2.gz ZXJQNMDPNDIUOR-UHFFFAOYSA-N 0 0 469.546 3.743 20 5 JHBDRN COc1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC001309908040 1071012764 /nfs/dbraw/zinc/01/27/64/1071012764.db2.gz CXWMDFXFYLLSPO-OAHLLOKOSA-N 0 0 455.330 3.762 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001309909297 1071013261 /nfs/dbraw/zinc/01/32/61/1071013261.db2.gz JMEKTDVZKXVKMK-JTQLQIEISA-N 0 0 450.826 3.544 20 5 JHBDRN CN(CC[C@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001309964974 1071030616 /nfs/dbraw/zinc/03/06/16/1071030616.db2.gz GEBCGMYCTQNLAI-GOSISDBHSA-N 0 0 455.577 3.579 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001309954214 1071027562 /nfs/dbraw/zinc/02/75/62/1071027562.db2.gz JKXLVRNSVXFOFE-OAQYLSRUSA-N 0 0 453.561 3.848 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001309954213 1071027642 /nfs/dbraw/zinc/02/76/42/1071027642.db2.gz JKXLVRNSVXFOFE-NRFANRHFSA-N 0 0 453.561 3.848 20 5 JHBDRN CN(Cc1ccoc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCCCCC1 ZINC001314766778 1071028658 /nfs/dbraw/zinc/02/86/58/1071028658.db2.gz BZYSDLNYWRLTNE-UHFFFAOYSA-N 0 0 452.515 3.875 20 5 JHBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC001309972365 1071033057 /nfs/dbraw/zinc/03/30/57/1071033057.db2.gz VOKMHGKOQGSKJX-CQSZACIVSA-N 0 0 450.731 3.890 20 5 JHBDRN CN(Cc1nccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)c1ccsc1 ZINC001314772980 1071040601 /nfs/dbraw/zinc/04/06/01/1071040601.db2.gz IZZUSEPZVWCWPW-HXUWFJFHSA-N 0 0 456.553 3.915 20 5 JHBDRN CN(Cc1ncc(Cl)n1C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1cccnc1 ZINC001314775189 1071045430 /nfs/dbraw/zinc/04/54/30/1071045430.db2.gz PVPQXYKOORPLLF-UHFFFAOYSA-N 0 0 452.906 3.514 20 5 JHBDRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001310116992 1071129742 /nfs/dbraw/zinc/12/97/42/1071129742.db2.gz HWRJWKBXXNQFIP-UHFFFAOYSA-N 0 0 459.356 3.547 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)C1CCCCC1 ZINC001314829217 1071158946 /nfs/dbraw/zinc/15/89/46/1071158946.db2.gz FKSRDMFJTZCIDV-HXUWFJFHSA-N 0 0 484.601 3.550 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001314830070 1071160946 /nfs/dbraw/zinc/16/09/46/1071160946.db2.gz MGFFOSPVWUEIST-KAGYGMCKSA-N 0 0 484.601 3.658 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C2CCCC2)n1CC(C)(C)N1CCOCC1 ZINC001314830085 1071161092 /nfs/dbraw/zinc/16/10/92/1071161092.db2.gz MZAOQNVFCQPTFJ-UHFFFAOYSA-N 0 0 456.591 3.634 20 5 JHBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001310159943 1071165555 /nfs/dbraw/zinc/16/55/55/1071165555.db2.gz NTZLCAPPUXSDFC-MRXNPFEDSA-N 0 0 455.439 3.590 20 5 JHBDRN CN(CCc1cnccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1CCCCO1 ZINC001314832402 1071166272 /nfs/dbraw/zinc/16/62/72/1071166272.db2.gz FOAACJHRAPGULL-NRFANRHFSA-N 0 0 451.531 3.672 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCCC1 ZINC001314833120 1071168503 /nfs/dbraw/zinc/16/85/03/1071168503.db2.gz QTCJFONXRVNVAT-UHFFFAOYSA-N 0 0 483.960 3.626 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@H]1CC(F)(F)CO1 ZINC001314834618 1071174285 /nfs/dbraw/zinc/17/42/85/1071174285.db2.gz VAYZKDSNZFWSDD-QGZVFWFLSA-N 0 0 463.510 3.942 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@H](F)C1 ZINC001314834640 1071174345 /nfs/dbraw/zinc/17/43/45/1071174345.db2.gz VSWVBCKLMYGZHT-FUHWJXTLSA-N 0 0 486.573 3.995 20 5 JHBDRN CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC=CCO2)C1)CC(F)(F)F ZINC001313789110 1071177694 /nfs/dbraw/zinc/17/76/94/1071177694.db2.gz WVKUPOATFVXMCP-PXNSSMCTSA-N 0 0 494.518 3.909 20 5 JHBDRN CN(CCCc1ccccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)c1ccco1 ZINC001314843649 1071196090 /nfs/dbraw/zinc/19/60/90/1071196090.db2.gz JGJJBALVHJRNRI-XMMPIXPASA-N 0 0 462.510 3.818 20 5 JHBDRN 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O=C(NC1CCOCC1)c1ccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001310422012 1071380738 /nfs/dbraw/zinc/38/07/38/1071380738.db2.gz YLDNGEPSPXHLGJ-LJQANCHMSA-N 0 0 452.511 3.915 20 5 JHBDRN CCO[C@@]1(c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2Cc2sc(C)nc2C)CCOC1 ZINC001314088206 1071962899 /nfs/dbraw/zinc/96/28/99/1071962899.db2.gz GPQCHZMUCHUMDB-QFIPXVFZSA-N 0 0 472.571 3.596 20 5 JHBDRN CCO[C@]1(c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@H]2CCCSC2)CCOC1 ZINC001314088543 1071963769 /nfs/dbraw/zinc/96/37/69/1071963769.db2.gz NKRLCCSEKVBNGE-VGOFRKELSA-N 0 0 461.588 3.618 20 5 JHBDRN CCO[C@]1(c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2CC(F)(F)F)CCOC1 ZINC001314099028 1071980900 /nfs/dbraw/zinc/98/09/00/1071980900.db2.gz HNSZCELAARSGJJ-LJQANCHMSA-N 0 0 455.437 3.570 20 5 JHBDRN CCO[C@]1(c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2CCC=CO2)CCOC1 ZINC001314102414 1071987650 /nfs/dbraw/zinc/98/76/50/1071987650.db2.gz XMPFIUDJPSIWRW-ZJSXRUAMSA-N 0 0 471.558 3.946 20 5 JHBDRN CCO[C@]1(c2nnc(N3CCN(c4cccc([N+](=O)[O-])c4)CC3)n2CCCC(F)(F)F)CCOC1 ZINC001314135336 1072047712 /nfs/dbraw/zinc/04/77/12/1072047712.db2.gz RIZCRCPHIBIFHC-OAQYLSRUSA-N 0 0 498.506 3.508 20 5 JHBDRN CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN(C(C)=O)C2)s1 ZINC001305994678 1068356886 /nfs/dbraw/zinc/35/68/86/1068356886.db2.gz DTRSNGQYOYKLLV-QGZVFWFLSA-N 0 0 483.598 3.767 20 5 JHBDRN CCc1cnc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOCC2(C)C)s1 ZINC001305996916 1068363084 /nfs/dbraw/zinc/36/30/84/1068363084.db2.gz WKUWPXJORWRSDQ-UHFFFAOYSA-N 0 0 485.614 3.619 20 5 JHBDRN CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)s1 ZINC001306003139 1068377383 /nfs/dbraw/zinc/37/73/83/1068377383.db2.gz LSHLPCNPIUTEMX-OYHNWAKOSA-N 0 0 472.571 3.529 20 5 JHBDRN CCc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OCC(C)C)CC2)cs1 ZINC001306038192 1068446942 /nfs/dbraw/zinc/44/69/42/1068446942.db2.gz XLJVEIRFLIWBER-UHFFFAOYSA-N 0 0 499.597 3.835 20 5 JHBDRN CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001306196596 1068588703 /nfs/dbraw/zinc/58/87/03/1068588703.db2.gz GEXPPPRAQLAUHV-AVRDEDQJSA-N 0 0 456.591 3.917 20 5 JHBDRN CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001306197395 1068589263 /nfs/dbraw/zinc/58/92/63/1068589263.db2.gz YJJZRXUFYIFTJW-UHFFFAOYSA-N 0 0 461.448 3.537 20 5 JHBDRN CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNC(C)=O ZINC001306278854 1068693584 /nfs/dbraw/zinc/69/35/84/1068693584.db2.gz SGAQPZWPIKTTTF-LJQANCHMSA-N 0 0 454.556 3.955 20 5 JHBDRN CSc1nnc(CCCNC(=O)c2cccc([N+](=O)[O-])c2Br)n1CC(C)C ZINC001306361018 1068795979 /nfs/dbraw/zinc/79/59/79/1068795979.db2.gz GWMFUTHWJDBNSA-UHFFFAOYSA-N 0 0 456.366 3.689 20 5 JHBDRN CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 ZINC001306464351 1069000786 /nfs/dbraw/zinc/00/07/86/1069000786.db2.gz IIMSNZJKIRCMHO-WAYWQWQTSA-N 0 0 463.542 3.940 20 5 JHBDRN CC/C=C\Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001306465074 1069002470 /nfs/dbraw/zinc/00/24/70/1069002470.db2.gz ODDTYHTTWYXKDH-ARJAWSKDSA-N 0 0 498.975 3.774 20 5 JHBDRN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c(C)c1 ZINC001310688217 1069112103 /nfs/dbraw/zinc/11/21/03/1069112103.db2.gz HCZSCVROGWMSHV-LJQANCHMSA-N 0 0 454.527 3.972 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001306540360 1069188687 /nfs/dbraw/zinc/18/86/87/1069188687.db2.gz BSTNIMZPPDWKAH-RUZDIDTESA-N 0 0 480.569 3.771 20 5 JHBDRN CC(C)(C)OC(=O)NC1(CNC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC001310878628 1069205204 /nfs/dbraw/zinc/20/52/04/1069205204.db2.gz FXKLWXDMEZHDIE-CYBMUJFWSA-N 0 0 450.389 3.694 20 5 JHBDRN COCCOCc1ccc(CNC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cc1 ZINC001310878891 1069205745 /nfs/dbraw/zinc/20/57/45/1069205745.db2.gz LPYXABXOZXPUDB-GOSISDBHSA-N 0 0 459.396 4.000 20 5 JHBDRN 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JHBDRN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694940 719887191 /nfs/dbraw/zinc/88/71/91/719887191.db2.gz HVMRBUURYFWQEY-UHFFFAOYSA-N 0 0 480.974 3.753 20 5 JHBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164695689 719887373 /nfs/dbraw/zinc/88/73/73/719887373.db2.gz QXLOZHLSONODHY-UHFFFAOYSA-N 0 0 455.993 3.693 20 5 JHBDRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1 ZINC001164873815 721294333 /nfs/dbraw/zinc/29/43/33/721294333.db2.gz BIMUDYBKTUHRAQ-BLLLJJGKSA-N 0 0 472.901 3.617 20 5 JHBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001164776200 721334238 /nfs/dbraw/zinc/33/42/38/721334238.db2.gz DEYCHAZHVGRQQK-HXUWFJFHSA-N 0 0 485.919 3.912 20 5 JHBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C2)C1 ZINC001164785305 721364955 /nfs/dbraw/zinc/36/49/55/721364955.db2.gz UIEFGPZYRJYZJW-RUZDIDTESA-N 0 0 478.553 3.776 20 5 JHBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC001164891662 721469018 /nfs/dbraw/zinc/46/90/18/721469018.db2.gz NFPFGORZOVIWBH-CQSZACIVSA-N 0 0 464.860 3.633 20 5 JHBDRN Cc1ccc(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808817 721569610 /nfs/dbraw/zinc/56/96/10/721569610.db2.gz VVEARVPNCGGRFN-NMVJMZGASA-N 0 0 460.538 3.623 20 5 JHBDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]12 ZINC001164942091 721965863 /nfs/dbraw/zinc/96/58/63/721965863.db2.gz ANZIRIAJGKPAJE-UYAOXDASSA-N 0 0 450.873 3.957 20 5 JHBDRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)[C@H]2C1 ZINC001164954913 721986499 /nfs/dbraw/zinc/98/64/99/721986499.db2.gz XSDDSXFHXISYOW-KDOFPFPSSA-N 0 0 486.928 3.715 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCCn3cnc(COc4cccnc4)c3C2)nc1Cl ZINC001164951894 721997750 /nfs/dbraw/zinc/99/77/50/721997750.db2.gz OVEUQWMFGXVLHX-UHFFFAOYSA-N 0 0 450.833 3.769 20 5 JHBDRN O=C1[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164968697 722081776 /nfs/dbraw/zinc/08/17/76/722081776.db2.gz DCHRIDSUQRAFID-SJLPKXTDSA-N 0 0 484.862 3.581 20 5 JHBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)CC[C@@H]32)cs1 ZINC001164986225 722185718 /nfs/dbraw/zinc/18/57/18/722185718.db2.gz DTWUBYXBHNJUPZ-FCHUYYIVSA-N 0 0 466.567 3.687 20 5 JHBDRN CCCCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)CC1 ZINC001306633759 1069337981 /nfs/dbraw/zinc/33/79/81/1069337981.db2.gz ANHWIUMGQZBZKV-OAQYLSRUSA-N 0 0 470.574 3.698 20 5 JHBDRN CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001306645512 1069356700 /nfs/dbraw/zinc/35/67/00/1069356700.db2.gz ZGULDPSOJAMJCM-FQEVSTJZSA-N 0 0 483.617 3.567 20 5 JHBDRN CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)noc2C)CC1 ZINC001306662677 1069384301 /nfs/dbraw/zinc/38/43/01/1069384301.db2.gz YMHBPANQWAUBLX-UHFFFAOYSA-N 0 0 495.584 3.981 20 5 JHBDRN COc1cc(OC)cc([C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2nccn2C)c1 ZINC001311473246 1069395315 /nfs/dbraw/zinc/39/53/15/1069395315.db2.gz SGCNNPHTAJOBIY-FQEVSTJZSA-N 0 0 453.499 3.669 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 ZINC001311548628 1069434152 /nfs/dbraw/zinc/43/41/52/1069434152.db2.gz OUCYTXSIBIJOCS-FQEVSTJZSA-N 0 0 450.417 3.867 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(c2ccccc2)CC1 ZINC001311549139 1069434592 /nfs/dbraw/zinc/43/45/92/1069434592.db2.gz XLHGEIMQNRFBSY-UHFFFAOYSA-N 0 0 451.449 3.947 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001311549091 1069434637 /nfs/dbraw/zinc/43/46/37/1069434637.db2.gz WQPMENGJYPUFIC-RHSMWYFYSA-N 0 0 456.421 3.916 20 5 JHBDRN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c(OC[C@@H]2CCCO2)c1 ZINC001306716969 1069448765 /nfs/dbraw/zinc/44/87/65/1069448765.db2.gz LPZOUMIEJWWUPB-AWEZNQCLSA-N 0 0 450.289 3.549 20 5 JHBDRN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCO2)C1 ZINC001306726392 1069469559 /nfs/dbraw/zinc/46/95/59/1069469559.db2.gz DDRRLPKEJGDRTJ-DWLFOUALSA-N 0 0 484.601 3.944 20 5 JHBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1CNC(=O)OC(C)(C)C ZINC001306854986 1069660979 /nfs/dbraw/zinc/66/09/79/1069660979.db2.gz KBGATZTYSJJUQZ-CHWSQXEVSA-N 0 0 456.337 3.980 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC(=O)Nc1ccc(Br)cc1C ZINC001306910928 1069682697 /nfs/dbraw/zinc/68/26/97/1069682697.db2.gz KMUSCOHIVSWGTI-UHFFFAOYSA-N 0 0 450.289 3.836 20 5 JHBDRN COc1cc(OC)cc(C(=O)N2CCN(c3c4cc(Cl)ccc4ncc3[N+](=O)[O-])CC2)c1 ZINC001306927319 1069684682 /nfs/dbraw/zinc/68/46/82/1069684682.db2.gz HYEBKDYJLXAKNY-UHFFFAOYSA-N 0 0 456.886 3.776 20 5 JHBDRN Cc1ccc(Cl)cc1N1CC[C@H](CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC001306955983 1069689180 /nfs/dbraw/zinc/68/91/80/1069689180.db2.gz SHNGHIGQIVEWGO-OAHLLOKOSA-N 0 0 452.964 3.745 20 5 JHBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2c(C)c(C)n[nH]c2=O)c([N+](=O)[O-])c1 ZINC001306976541 1069692754 /nfs/dbraw/zinc/69/27/54/1069692754.db2.gz YSOUNKYMUSSGMC-UHFFFAOYSA-N 0 0 457.512 3.535 20 5 JHBDRN NC(=O)CN(Cc1ccccc1)c1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC001306961750 1069690170 /nfs/dbraw/zinc/69/01/70/1069690170.db2.gz DPPNCMNKMDJWCI-UHFFFAOYSA-N 0 0 459.506 3.723 20 5 JHBDRN C[C@H](C[C@@H](O)c1ccco1)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001306999685 1069696882 /nfs/dbraw/zinc/69/68/82/1069696882.db2.gz OYFDNQJYIBGGCI-AJICJQNESA-N 0 0 451.545 3.969 20 5 JHBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC001306990605 1069694972 /nfs/dbraw/zinc/69/49/72/1069694972.db2.gz MPVOSIMPMCDOBR-DNVCBOLYSA-N 0 0 453.586 3.779 20 5 JHBDRN CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001307011452 1069712356 /nfs/dbraw/zinc/71/23/56/1069712356.db2.gz ZKVSYCPSROWATN-UHFFFAOYSA-N 0 0 452.519 3.503 20 5 JHBDRN CCCN(CCc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001307012363 1069715681 /nfs/dbraw/zinc/71/56/81/1069715681.db2.gz QPUNXXLBTQYFBR-HXOBKFHXSA-N 0 0 471.583 3.914 20 5 JHBDRN Cc1ccc([C@@H](C)NC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1[N+](=O)[O-] ZINC001312122109 1069732273 /nfs/dbraw/zinc/73/22/73/1069732273.db2.gz MKOZAOXHZSMRLC-GFCCVEGCSA-N 0 0 458.466 3.756 20 5 JHBDRN C[C@@H](CNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1[N+](=O)[O-] ZINC001312208786 1069783287 /nfs/dbraw/zinc/78/32/87/1069783287.db2.gz ZTNUAVFDESUPRD-JTQLQIEISA-N 0 0 456.812 3.913 20 5 JHBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H](CO)Cc1cccc(Br)c1 ZINC001312281764 1069835411 /nfs/dbraw/zinc/83/54/11/1069835411.db2.gz APKMFQTUOMGOPY-CYBMUJFWSA-N 0 0 456.724 3.661 20 5 JHBDRN CC1(C)C[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c2ccc(F)cc2O1 ZINC001312344380 1069875696 /nfs/dbraw/zinc/87/56/96/1069875696.db2.gz XUGYOUIDKXRFSH-GOSISDBHSA-N 0 0 456.474 3.504 20 5 JHBDRN Cc1nnc(-c2cccc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c2)n1C ZINC001307074273 1069886941 /nfs/dbraw/zinc/88/69/41/1069886941.db2.gz BREQBQQFRCSWHD-UHFFFAOYSA-N 0 0 456.528 3.617 20 5 JHBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC001312361875 1069888133 /nfs/dbraw/zinc/88/81/33/1069888133.db2.gz QQMDPAAFVFFBDO-KZULUSFZSA-N 0 0 452.305 3.941 20 5 JHBDRN COc1ccc(Br)c(C(=O)NCCCNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC001307092727 1069889255 /nfs/dbraw/zinc/88/92/55/1069889255.db2.gz QHXGLLMLPALDRJ-UHFFFAOYSA-N 0 0 450.289 3.801 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC001307093198 1069889453 /nfs/dbraw/zinc/88/94/53/1069889453.db2.gz BMRFHTKJNQODRH-OAHLLOKOSA-N 0 0 457.524 3.621 20 5 JHBDRN COc1ccc(CSc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1Cl ZINC001307110433 1069892917 /nfs/dbraw/zinc/89/29/17/1069892917.db2.gz GNYUTSDFLGMIJT-UHFFFAOYSA-N 0 0 458.945 3.570 20 5 JHBDRN Cn1cc([C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001307148861 1069900512 /nfs/dbraw/zinc/90/05/12/1069900512.db2.gz NJPATWAULYRBJM-LSDHHAIUSA-N 0 0 466.336 3.588 20 5 JHBDRN CCOC(=O)C1=CC[C@H](Nc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])C1 ZINC001307170075 1069902959 /nfs/dbraw/zinc/90/29/59/1069902959.db2.gz ZHDQDODKBRLPKZ-PREGVCBESA-N 0 0 451.545 3.516 20 5 JHBDRN CN1CCN(Cc2ccccc2)[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001307175350 1069903880 /nfs/dbraw/zinc/90/38/80/1069903880.db2.gz FIRGBKPQDGRJCQ-HNNXBMFYSA-N 0 0 459.419 3.872 20 5 JHBDRN CS(=O)(=O)c1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CCO2)cc1 ZINC001307174849 1069904038 /nfs/dbraw/zinc/90/40/38/1069904038.db2.gz GMOQZXJKYHROSJ-FQEVSTJZSA-N 0 0 457.483 3.777 20 5 JHBDRN COC(=O)C1CC2(C1)CN(c1cccc(C(F)(F)F)c1[N+](=O)[O-])C[C@H]2C(=O)OC(C)(C)C ZINC001307206275 1069907172 /nfs/dbraw/zinc/90/71/72/1069907172.db2.gz HNIAHJQBWXIQFL-JGOZLAPISA-N 0 0 458.433 3.961 20 5 JHBDRN 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O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312661336 1070068898 /nfs/dbraw/zinc/06/88/98/1070068898.db2.gz KEFGXECPLVITRA-MRXNPFEDSA-N 0 0 459.934 3.770 20 5 JHBDRN CCOC(=O)C1=C(CN[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001307623723 1070086482 /nfs/dbraw/zinc/08/64/82/1070086482.db2.gz YXJLZHLCLVBJGA-ZUOKHONESA-N 0 0 458.902 3.770 20 5 JHBDRN COC(=O)[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 ZINC001307658975 1070107391 /nfs/dbraw/zinc/10/73/91/1070107391.db2.gz HGYBFGMZIRQJLV-INIZCTEOSA-N 0 0 458.227 3.651 20 5 JHBDRN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC001307682538 1070123826 /nfs/dbraw/zinc/12/38/26/1070123826.db2.gz KBMOCRCHUALMOA-DEOSSOPVSA-N 0 0 455.511 3.572 20 5 JHBDRN COC(=O)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC001307702422 1070136056 /nfs/dbraw/zinc/13/60/56/1070136056.db2.gz LBNRUQQJBUFZII-UHFFFAOYSA-N 0 0 459.808 3.881 20 5 JHBDRN CCCc1nc(C)c(CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC001312811371 1070136509 /nfs/dbraw/zinc/13/65/09/1070136509.db2.gz QYTXBKKHPWYPPB-UHFFFAOYSA-N 0 0 455.437 3.894 20 5 JHBDRN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001307726102 1070150219 /nfs/dbraw/zinc/15/02/19/1070150219.db2.gz SEYCFWWCKMHDSW-ORYQWCPZSA-N 0 0 454.527 3.915 20 5 JHBDRN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001307725949 1070150250 /nfs/dbraw/zinc/15/02/50/1070150250.db2.gz SOAZGELXKHFEDL-UHFFFAOYSA-N 0 0 453.377 3.872 20 5 JHBDRN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001307925900 1070245421 /nfs/dbraw/zinc/24/54/21/1070245421.db2.gz IGNYKKRMTXYGTG-YVLXSGLVSA-N 0 0 461.154 3.750 20 5 JHBDRN COC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 ZINC001308045189 1070290763 /nfs/dbraw/zinc/29/07/63/1070290763.db2.gz VOGGINLGKCXFNL-UHFFFAOYSA-N 0 0 452.492 3.502 20 5 JHBDRN 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1069957398 /nfs/dbraw/zinc/95/73/98/1069957398.db2.gz PBKWCZSMJBXKIA-UHFFFAOYSA-N 0 0 451.932 3.644 20 5 JHBDRN Cc1c(CNC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001312492636 1069971230 /nfs/dbraw/zinc/97/12/30/1069971230.db2.gz NJTKAQURUJCRJZ-FUHWJXTLSA-N 0 0 456.465 3.768 20 5 JHBDRN COc1cc(CN(C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001307459229 1069997905 /nfs/dbraw/zinc/99/79/05/1069997905.db2.gz QWQLTYQYQIKVPX-UHFFFAOYSA-N 0 0 451.470 3.716 20 5 JHBDRN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(Cl)c1 ZINC001307489625 1070014154 /nfs/dbraw/zinc/01/41/54/1070014154.db2.gz KZSZNPCCTQFBGU-HNNXBMFYSA-N 0 0 458.902 3.810 20 5 JHBDRN Cc1c(NC(=O)[C@@H](C)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001307500493 1070019156 /nfs/dbraw/zinc/01/91/56/1070019156.db2.gz DUZKLYAWQMCCRD-DOTOQJQBSA-N 0 0 458.946 3.659 20 5 JHBDRN COc1cccc(-c2c[nH]c([C@@H]3CCCN3CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c1 ZINC001307550269 1070047698 /nfs/dbraw/zinc/04/76/98/1070047698.db2.gz PEWYIZZATOZCPC-FQEVSTJZSA-N 0 0 451.483 3.778 20 5 JHBDRN COc1ccc(-c2nc(CN3CCN(CCOc4ccccc4[N+](=O)[O-])CC3)cs2)cc1 ZINC001307569293 1070056734 /nfs/dbraw/zinc/05/67/34/1070056734.db2.gz LLOXQSQRGUSCFI-UHFFFAOYSA-N 0 0 454.552 3.924 20 5 JHBDRN O=C(N[C@@H]1CCOc2c(Cl)c(Cl)ccc21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001312654248 1070064514 /nfs/dbraw/zinc/06/45/14/1070064514.db2.gz ZFPUJLNGENSBBW-OAHLLOKOSA-N 0 0 452.298 3.652 20 5 JHBDRN CC(C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC001312724863 1070095073 /nfs/dbraw/zinc/09/50/73/1070095073.db2.gz UAHDHJVRZGIKCC-HNAYVOBHSA-N 0 0 458.481 3.896 20 5 JHBDRN COc1ccc(Br)c(CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC001307678535 1070120466 /nfs/dbraw/zinc/12/04/66/1070120466.db2.gz KFLCEJBCVBCEIK-LBPRGKRZSA-N 0 0 452.305 3.834 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC001307694036 1070130711 /nfs/dbraw/zinc/13/07/11/1070130711.db2.gz WKTXVTJWYQGSDC-SFHVURJKSA-N 0 0 453.264 3.857 20 5 JHBDRN CCOc1cc(N2CCN(CCCC(=O)Nc3ccccc3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001307734622 1070157725 /nfs/dbraw/zinc/15/77/25/1070157725.db2.gz QHLCUSQAPAEUJK-UHFFFAOYSA-N 0 0 454.527 3.737 20 5 JHBDRN CCOCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001314355544 1070176798 /nfs/dbraw/zinc/17/67/98/1070176798.db2.gz KGFADMMVWFXYSL-FQEVSTJZSA-N 0 0 486.573 3.685 20 5 JHBDRN C[C@]12CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1C2(Br)Br ZINC001307926180 1070245613 /nfs/dbraw/zinc/24/56/13/1070245613.db2.gz OVLSXVXUTYIOOM-FMKPAKJESA-N 0 0 473.165 3.528 20 5 JHBDRN NC(=O)[C@H](C1CC1)N(CC1CC1)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015304 1070281470 /nfs/dbraw/zinc/28/14/70/1070281470.db2.gz MNERKXWKPSQOFV-SFTDATJTSA-N 0 0 456.930 3.904 20 5 JHBDRN NC(=O)[C@@H](C1CC1)N(CC1CC1)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308015302 1070281539 /nfs/dbraw/zinc/28/15/39/1070281539.db2.gz MNERKXWKPSQOFV-NHCUHLMSSA-N 0 0 456.930 3.904 20 5 JHBDRN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031688 1070286326 /nfs/dbraw/zinc/28/63/26/1070286326.db2.gz ORUUVNBRATUSNW-UZUQRXQVSA-N 0 0 458.946 3.552 20 5 JHBDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001313217699 1070296498 /nfs/dbraw/zinc/29/64/98/1070296498.db2.gz INZHOTOGHIXNJR-CYBMUJFWSA-N 0 0 459.304 3.841 20 5 JHBDRN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001313236656 1070301847 /nfs/dbraw/zinc/30/18/47/1070301847.db2.gz MTJGCBNRELNXOO-ZWKOTPCHSA-N 0 0 454.527 3.540 20 5 JHBDRN C[C@@H](CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC001313290734 1070318417 /nfs/dbraw/zinc/31/84/17/1070318417.db2.gz MUKFMXHMTIYMEL-LSDHHAIUSA-N 0 0 456.490 3.890 20 5 JHBDRN C[C@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001313287212 1070317161 /nfs/dbraw/zinc/31/71/61/1070317161.db2.gz SHMVLETWGFSYQU-CGTJXYLNSA-N 0 0 457.531 3.546 20 5 JHBDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C2 ZINC001313382424 1070342241 /nfs/dbraw/zinc/34/22/41/1070342241.db2.gz WYARKYHUIXSHGQ-DOSYZEEDSA-N 0 0 488.585 3.950 20 5 JHBDRN CCOCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)OCCc2sccc21 ZINC001314467987 1070378811 /nfs/dbraw/zinc/37/88/11/1070378811.db2.gz YFJHANVOCJWTND-JOCHJYFZSA-N 0 0 457.556 3.876 20 5 JHBDRN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(CC)n2)C1 ZINC001313458299 1070402207 /nfs/dbraw/zinc/40/22/07/1070402207.db2.gz AKBDYBCMKXRTJV-GOSISDBHSA-N 0 0 497.625 3.858 20 5 JHBDRN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1C(F)(F)C12CCC2 ZINC001314513160 1070477473 /nfs/dbraw/zinc/47/74/73/1070477473.db2.gz OQCULAPPTNNJOI-PBHICJAKSA-N 0 0 483.541 3.548 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1Cl ZINC001309034751 1070499220 /nfs/dbraw/zinc/49/92/20/1070499220.db2.gz OIGBNGDTIAKYEE-UHFFFAOYSA-N 0 0 456.801 3.945 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(Br)c1 ZINC001309047136 1070505709 /nfs/dbraw/zinc/50/57/09/1070505709.db2.gz MHWRUFFVYNPROR-UHFFFAOYSA-N 0 0 451.298 3.868 20 5 JHBDRN CCCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 ZINC001313490316 1070511088 /nfs/dbraw/zinc/51/10/88/1070511088.db2.gz WDJFOEJJPFJEBG-KRWDZBQOSA-N 0 0 483.598 3.782 20 5 JHBDRN Cc1ccc(NC(=O)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(Cl)c1 ZINC001309104154 1070542562 /nfs/dbraw/zinc/54/25/62/1070542562.db2.gz BHGDENNOZUNOPT-UHFFFAOYSA-N 0 0 452.703 3.780 20 5 JHBDRN Cc1c(Br)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001309116348 1070548742 /nfs/dbraw/zinc/54/87/42/1070548742.db2.gz VBWATJSQDYSBBF-UHFFFAOYSA-N 0 0 451.638 3.995 20 5 JHBDRN CCOc1cc2c(cc1OCC)CN(S(=O)(=O)c1ccc3ncccc3c1[N+](=O)[O-])CC2 ZINC001309126391 1070553330 /nfs/dbraw/zinc/55/33/30/1070553330.db2.gz MDZBTRRUYFECOH-UHFFFAOYSA-N 0 0 457.508 3.687 20 5 JHBDRN Cc1c(Cl)cc(S(=O)(=O)NCc2cccc(COC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001309154071 1070572296 /nfs/dbraw/zinc/57/22/96/1070572296.db2.gz YDUQNOHPETUMDA-UHFFFAOYSA-N 0 0 454.932 3.731 20 5 JHBDRN COC(=O)[C@@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)Cc1cccc2ccccc21 ZINC001309177765 1070586311 /nfs/dbraw/zinc/58/63/11/1070586311.db2.gz NOTZVJDVMSFPQQ-LJQANCHMSA-N 0 0 456.520 3.675 20 5 JHBDRN Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(C)cc1[N+](=O)[O-] ZINC001309199002 1070599586 /nfs/dbraw/zinc/59/95/86/1070599586.db2.gz YWIYATWLPXGBSZ-AWEZNQCLSA-N 0 0 454.346 3.531 20 5 JHBDRN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1[N+](=O)[O-] ZINC001309196091 1070597969 /nfs/dbraw/zinc/59/79/69/1070597969.db2.gz BHJQVFWVFAKTOJ-AWEZNQCLSA-N 0 0 454.346 3.531 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC001309204201 1070605530 /nfs/dbraw/zinc/60/55/30/1070605530.db2.gz LTBGFFZGNILSAC-FQEVSTJZSA-N 0 0 458.467 3.783 20 5 JHBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001309215405 1070614384 /nfs/dbraw/zinc/61/43/84/1070614384.db2.gz SMEKDENEUAWNEU-UHFFFAOYSA-N 0 0 455.330 3.718 20 5 JHBDRN CCOCCCN(c1ncccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001309220200 1070619566 /nfs/dbraw/zinc/61/95/66/1070619566.db2.gz MQGULCGHBKSDFR-UHFFFAOYSA-N 0 0 458.334 3.683 20 5 JHBDRN CCC[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001313538016 1070631557 /nfs/dbraw/zinc/63/15/57/1070631557.db2.gz QVFUQYFHOVDZRS-GMLUQMLDSA-N 0 0 470.574 3.582 20 5 JHBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](CSc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001309255831 1070648950 /nfs/dbraw/zinc/64/89/50/1070648950.db2.gz WUYSMOGVEPGGQD-AWEZNQCLSA-N 0 0 451.526 3.576 20 5 JHBDRN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC001309254702 1070647515 /nfs/dbraw/zinc/64/75/15/1070647515.db2.gz MMQDHDHJGWAMTA-UHFFFAOYSA-N 0 0 458.290 3.567 20 5 JHBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)Oc2cc(C)c(Br)cc21 ZINC001309266701 1070656693 /nfs/dbraw/zinc/65/66/93/1070656693.db2.gz IBSLWBXJTVZZNW-LLVKDONJSA-N 0 0 457.302 3.651 20 5 JHBDRN CCN([C@H](COC)Cc1ccccc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001309269563 1070659038 /nfs/dbraw/zinc/65/90/38/1070659038.db2.gz ILMLDVGJLTXZOI-HNNXBMFYSA-N 0 0 457.346 3.626 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001309273692 1070661277 /nfs/dbraw/zinc/66/12/77/1070661277.db2.gz QWEVKFWNZYEUMM-UHFFFAOYSA-N 0 0 452.488 3.744 20 5 JHBDRN CCCCO[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275278 1070662624 /nfs/dbraw/zinc/66/26/24/1070662624.db2.gz QWCQWIIOIBDTOA-GJZGRUSLSA-N 0 0 453.330 3.759 20 5 JHBDRN CCSCCCn1c(-c2cccc(C)n2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001314617478 1070689587 /nfs/dbraw/zinc/68/95/87/1070689587.db2.gz FHZNUBMYGOJTLB-UHFFFAOYSA-N 0 0 456.576 3.738 20 5 JHBDRN CN(C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCSC1)C1CCCCC1 ZINC001314621560 1070701197 /nfs/dbraw/zinc/70/11/97/1070701197.db2.gz QVLBCQJZWOAKPP-LJQANCHMSA-N 0 0 458.588 3.586 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001309328208 1070702423 /nfs/dbraw/zinc/70/24/23/1070702423.db2.gz XIYQJHOHMHRHIB-OAQYLSRUSA-N 0 0 452.488 3.870 20 5 JHBDRN CN(C)C(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(F)(F)F)CCCC1 ZINC001314627701 1070721716 /nfs/dbraw/zinc/72/17/16/1070721716.db2.gz GFVMWIFPJZFOFR-UHFFFAOYSA-N 0 0 454.453 3.500 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001309361417 1070722743 /nfs/dbraw/zinc/72/27/43/1070722743.db2.gz GXLIAIBEZYOKON-CQSZACIVSA-N 0 0 459.293 3.997 20 5 JHBDRN CN(C)C(=O)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(C)(F)F)CC1 ZINC001314628654 1070724722 /nfs/dbraw/zinc/72/47/22/1070724722.db2.gz NJLCWWLGDLQKCA-UHFFFAOYSA-N 0 0 450.490 3.593 20 5 JHBDRN Cc1nnc([C@H]2Cc3ccccc3CN2S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001309369084 1070729275 /nfs/dbraw/zinc/72/92/75/1070729275.db2.gz NEZQVNVAURXXJF-OAHLLOKOSA-N 0 0 452.851 3.567 20 5 JHBDRN CCN(C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@@H]2C)CC1)S(C)(=O)=O ZINC001313622790 1070751516 /nfs/dbraw/zinc/75/15/16/1070751516.db2.gz ZQMKGMDWCJCIAM-PKOBYXMFSA-N 0 0 490.630 3.540 20 5 JHBDRN CC[C@](C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001309411454 1070752779 /nfs/dbraw/zinc/75/27/79/1070752779.db2.gz AQOIBAXKMVHWKR-SFHVURJKSA-N 0 0 457.346 3.709 20 5 JHBDRN O=[N+]([O-])c1cc(I)ccc1OS(=O)(=O)c1cccc(C(F)F)c1 ZINC001309416319 1070755923 /nfs/dbraw/zinc/75/59/23/1070755923.db2.gz YHQPQRIPEDLPDC-UHFFFAOYSA-N 0 0 455.176 3.905 20 5 JHBDRN CCOC(=O)[C@H](Cc1cccc2ccccc21)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001309424161 1070761937 /nfs/dbraw/zinc/76/19/37/1070761937.db2.gz ULMGGTGTDMZQHK-NRFANRHFSA-N 0 0 456.520 3.818 20 5 JHBDRN COc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1[N+](=O)[O-] ZINC001309452281 1070778939 /nfs/dbraw/zinc/77/89/39/1070778939.db2.gz GLXFCXCRHSRFCQ-HAQNSBGRSA-N 0 0 459.293 3.730 20 5 JHBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)c1ccc3ncsc3c1)CC2 ZINC001309492897 1070807779 /nfs/dbraw/zinc/80/77/79/1070807779.db2.gz URPHYDRZROIMSP-UHFFFAOYSA-N 0 0 454.327 3.714 20 5 JHBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)c1cc3cc(F)ccc3o1)CC2 ZINC001309493376 1070808263 /nfs/dbraw/zinc/80/82/63/1070808263.db2.gz YHYDXSSLJPFPRZ-UHFFFAOYSA-N 0 0 455.261 3.990 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC001309527832 1070830260 /nfs/dbraw/zinc/83/02/60/1070830260.db2.gz IRVWOAGAYTUDPU-CQSZACIVSA-N 0 0 456.929 3.590 20 5 JHBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(Br)cn1)C1CCC1 ZINC001314680851 1070832902 /nfs/dbraw/zinc/83/29/02/1070832902.db2.gz SCPSECFEDCUQGU-UHFFFAOYSA-N 0 0 460.336 3.891 20 5 JHBDRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC001309536179 1070837501 /nfs/dbraw/zinc/83/75/01/1070837501.db2.gz GMSRZMKHXRSRKZ-UHFFFAOYSA-N 0 0 453.586 3.575 20 5 JHBDRN Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001309551052 1070849869 /nfs/dbraw/zinc/84/98/69/1070849869.db2.gz BVGMKUAAMUQKIP-UHFFFAOYSA-N 0 0 451.476 3.993 20 5 JHBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nccc3sccc32)CC1 ZINC001309561961 1070859203 /nfs/dbraw/zinc/85/92/03/1070859203.db2.gz RDGLYWNRBRBCLB-UHFFFAOYSA-N 0 0 452.945 3.677 20 5 JHBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC001309578392 1070866711 /nfs/dbraw/zinc/86/67/11/1070866711.db2.gz UYMADARTCRROIA-ZWKOTPCHSA-N 0 0 457.474 3.520 20 5 JHBDRN CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC1CCCC1 ZINC001314704922 1070874519 /nfs/dbraw/zinc/87/45/19/1070874519.db2.gz XIWJVRZOKCOUFW-UHFFFAOYSA-N 0 0 458.563 3.554 20 5 JHBDRN 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C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)O1 ZINC001308031686 1070286655 /nfs/dbraw/zinc/28/66/55/1070286655.db2.gz ORUUVNBRATUSNW-HXOBKFHXSA-N 0 0 458.946 3.552 20 5 JHBDRN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001313232753 1070299934 /nfs/dbraw/zinc/29/99/34/1070299934.db2.gz LSLCFDSALTZPNN-NRFANRHFSA-N 0 0 452.511 3.982 20 5 JHBDRN O=[N+]([O-])c1cc(I)cc(CN2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001308090927 1070308939 /nfs/dbraw/zinc/30/89/39/1070308939.db2.gz NUBOOBXKPIKPED-UHFFFAOYSA-N 0 0 458.687 3.570 20 5 JHBDRN C[C@H](NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001313286558 1070316336 /nfs/dbraw/zinc/31/63/36/1070316336.db2.gz MEIPMURHPAFUJK-AWEZNQCLSA-N 0 0 450.417 3.842 20 5 JHBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001308126656 1070323438 /nfs/dbraw/zinc/32/34/38/1070323438.db2.gz XYTUGGDXLYXQCE-UYAOXDASSA-N 0 0 458.902 3.748 20 5 JHBDRN CCOCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001314451548 1070349339 /nfs/dbraw/zinc/34/93/39/1070349339.db2.gz GAOCXPZEEPVBCZ-LJQANCHMSA-N 0 0 472.590 3.801 20 5 JHBDRN COC(=O)COc1ccc(CN[C@@H]2CCOc3ccc(Br)cc32)cc1[N+](=O)[O-] ZINC001308519604 1070384778 /nfs/dbraw/zinc/38/47/78/1070384778.db2.gz UPIKCZGVONWVKX-OAHLLOKOSA-N 0 0 451.273 3.523 20 5 JHBDRN CCS(=O)(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[C@H]2CCCCO2)CC1 ZINC001314504147 1070443222 /nfs/dbraw/zinc/44/32/22/1070443222.db2.gz BGAYPMKEQRYCQZ-HXUWFJFHSA-N 0 0 491.614 3.606 20 5 JHBDRN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)C)C12CCCC2 ZINC001314505406 1070448060 /nfs/dbraw/zinc/44/80/60/1070448060.db2.gz BGTCJYNDMXDEGY-LEWJYISDSA-N 0 0 484.601 3.800 20 5 JHBDRN COc1ccc(S(=O)(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])c(C)c1C ZINC001309022491 1070489915 /nfs/dbraw/zinc/48/99/15/1070489915.db2.gz PAHKEWNKJBAKDE-QGZVFWFLSA-N 0 0 450.513 3.582 20 5 JHBDRN CCCC(=O)Nc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC001309063479 1070516818 /nfs/dbraw/zinc/51/68/18/1070516818.db2.gz KUXOQUCBPMAUAP-UHFFFAOYSA-N 0 0 456.318 3.574 20 5 JHBDRN COc1cccc(OC)c1Oc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC001309075603 1070524597 /nfs/dbraw/zinc/52/45/97/1070524597.db2.gz BFRGPTWNDJISGL-UHFFFAOYSA-N 0 0 459.480 3.586 20 5 JHBDRN CCCNC(=O)Nc1cccc(OS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC001309161595 1070578453 /nfs/dbraw/zinc/57/84/53/1070578453.db2.gz GUIYJLKHKCPKBY-UHFFFAOYSA-N 0 0 458.290 3.657 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F ZINC001309178433 1070587621 /nfs/dbraw/zinc/58/76/21/1070587621.db2.gz IWKVMVOUKLVTHT-HNNXBMFYSA-N 0 0 459.902 3.778 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCc1ccc(Br)cc1F ZINC001309172882 1070583949 /nfs/dbraw/zinc/58/39/49/1070583949.db2.gz GHCBTPJRKSVHCC-UHFFFAOYSA-N 0 0 455.664 3.810 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])c(Cl)cc2C)cnc1C(F)F ZINC001309189820 1070594118 /nfs/dbraw/zinc/59/41/18/1070594118.db2.gz DSULMWITHDSIQI-UHFFFAOYSA-N 0 0 450.803 3.834 20 5 JHBDRN COC(=O)COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC001309238045 1070635253 /nfs/dbraw/zinc/63/52/53/1070635253.db2.gz KJXAAYVYKDCMDA-UHFFFAOYSA-N 0 0 456.476 3.542 20 5 JHBDRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001309281329 1070666025 /nfs/dbraw/zinc/66/60/25/1070666025.db2.gz YDYICFQQNXTBOE-UHFFFAOYSA-N 0 0 453.586 3.575 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC001309289839 1070672379 /nfs/dbraw/zinc/67/23/79/1070672379.db2.gz HVQJHMUKMDDAHG-KRWDZBQOSA-N 0 0 457.508 3.541 20 5 JHBDRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001309298411 1070680152 /nfs/dbraw/zinc/68/01/52/1070680152.db2.gz XORKIXDHOGVDMD-LLVKDONJSA-N 0 0 453.920 3.749 20 5 JHBDRN CCCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309293568 1070675884 /nfs/dbraw/zinc/67/58/84/1070675884.db2.gz XKRFMICSWCJALA-UHFFFAOYSA-N 0 0 459.540 3.843 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCO)Cc2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC001309326238 1070700800 /nfs/dbraw/zinc/70/08/00/1070700800.db2.gz LAJUBKKZHPOZDQ-UHFFFAOYSA-N 0 0 452.838 3.840 20 5 JHBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC001309321012 1070696735 /nfs/dbraw/zinc/69/67/35/1070696735.db2.gz KGNSDVYRODYIRH-GUYCJALGSA-N 0 0 455.330 3.804 20 5 JHBDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1cccc(F)c1I ZINC001309334481 1070705954 /nfs/dbraw/zinc/70/59/54/1070705954.db2.gz MXBBJLZHTWYHGQ-UHFFFAOYSA-N 0 0 451.213 3.723 20 5 JHBDRN Cc1ccc(C2CCN(S(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])CC2)cn1 ZINC001309338629 1070708788 /nfs/dbraw/zinc/70/87/88/1070708788.db2.gz TWWPAMLGEILXMU-UHFFFAOYSA-N 0 0 458.309 3.768 20 5 JHBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1C ZINC001309341128 1070710048 /nfs/dbraw/zinc/71/00/48/1070710048.db2.gz WPSMWUCSJIYSSF-JQHSSLGASA-N 0 0 453.561 3.526 20 5 JHBDRN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Br ZINC001309360177 1070721948 /nfs/dbraw/zinc/72/19/48/1070721948.db2.gz BBCFTLQKERKWBB-INIZCTEOSA-N 0 0 459.343 3.802 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(F)cc1C ZINC001309360152 1070721963 /nfs/dbraw/zinc/72/19/63/1070721963.db2.gz AGBHSSGEVKKBBH-SFHVURJKSA-N 0 0 454.501 3.655 20 5 JHBDRN O=C(Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)c1ccncc1 ZINC001309367339 1070727833 /nfs/dbraw/zinc/72/78/33/1070727833.db2.gz ROENSVONSUMXJY-UHFFFAOYSA-N 0 0 452.492 3.595 20 5 JHBDRN CN(C)C(=O)CCCn1c(CC2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001314630510 1070731159 /nfs/dbraw/zinc/73/11/59/1070731159.db2.gz AZHJAXNNDRTLQR-UHFFFAOYSA-N 0 0 484.601 3.835 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC001309374932 1070731974 /nfs/dbraw/zinc/73/19/74/1070731974.db2.gz AKZJVJZTBGUVRK-UHFFFAOYSA-N 0 0 457.694 3.877 20 5 JHBDRN Cc1cc(S(=O)(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] ZINC001309450987 1070778316 /nfs/dbraw/zinc/77/83/16/1070778316.db2.gz XENGENAABUWYRU-UHFFFAOYSA-N 0 0 456.524 3.501 20 5 JHBDRN CCOc1cc(N2CCN(S(=O)(=O)CC[C@@H]3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001309461996 1070784070 /nfs/dbraw/zinc/78/40/70/1070784070.db2.gz LYYJVKMMTRASDN-IBGZPJMESA-N 0 0 459.568 3.565 20 5 JHBDRN O=[N+]([O-])c1cc(CNS(=O)(=O)c2cccc(Br)c2F)cc(C(F)(F)F)c1 ZINC001309467841 1070789150 /nfs/dbraw/zinc/78/91/50/1070789150.db2.gz MXRKYZDJZPNNEV-UHFFFAOYSA-N 0 0 457.199 3.994 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc([N+](=O)[O-])c1C ZINC001309470416 1070790442 /nfs/dbraw/zinc/79/04/42/1070790442.db2.gz NBYAKJWAPJKKHH-DOTOQJQBSA-N 0 0 450.488 3.834 20 5 JHBDRN O=C(Nc1ccc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)cc1)c1ccncc1 ZINC001309479740 1070796445 /nfs/dbraw/zinc/79/64/45/1070796445.db2.gz XJZRHPVOPGULAX-UHFFFAOYSA-N 0 0 451.819 3.802 20 5 JHBDRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001309480128 1070797264 /nfs/dbraw/zinc/79/72/64/1070797264.db2.gz CKDKWISKWLPJQH-CABCVRRESA-N 0 0 459.952 3.660 20 5 JHBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC001314679920 1070829582 /nfs/dbraw/zinc/82/95/82/1070829582.db2.gz FUPAQKCLLCSGPV-FQEVSTJZSA-N 0 0 480.573 3.564 20 5 JHBDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSC(C)C)CC1 ZINC001313655350 1070843790 /nfs/dbraw/zinc/84/37/90/1070843790.db2.gz VDUOPXHPRRQUCA-UHFFFAOYSA-N 0 0 475.619 3.579 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)c1C ZINC001309553727 1070852121 /nfs/dbraw/zinc/85/21/21/1070852121.db2.gz QMOADZCYIIUWHH-GOSISDBHSA-N 0 0 453.561 3.814 20 5 JHBDRN CC[C@]1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC001309560415 1070858195 /nfs/dbraw/zinc/85/81/95/1070858195.db2.gz YNNGZLUGHGKDQA-GOSISDBHSA-N 0 0 455.330 3.514 20 5 JHBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCCc3c(F)c(F)cc(F)c32)c1 ZINC001309576453 1070865873 /nfs/dbraw/zinc/86/58/73/1070865873.db2.gz FWIIPWKXHLPLOE-UHFFFAOYSA-N 0 0 451.220 3.916 20 5 JHBDRN COc1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC001309607000 1070880756 /nfs/dbraw/zinc/88/07/56/1070880756.db2.gz JMEPPHAAEASOBC-CQSZACIVSA-N 0 0 455.330 3.762 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1C ZINC001309649819 1070902388 /nfs/dbraw/zinc/90/23/88/1070902388.db2.gz QRQPMXRFOQGUDV-DOTOQJQBSA-N 0 0 455.577 3.916 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001309664232 1070910443 /nfs/dbraw/zinc/91/04/43/1070910443.db2.gz UQQPZKCYGAYWFZ-ZDUSSCGKSA-N 0 0 450.357 3.782 20 5 JHBDRN Cc1cc(S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC001309673673 1070916989 /nfs/dbraw/zinc/91/69/89/1070916989.db2.gz DNZCIAIMCPWNLX-KRWDZBQOSA-N 0 0 450.488 3.672 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC001309684660 1070922222 /nfs/dbraw/zinc/92/22/22/1070922222.db2.gz ADSZDCZIADRIOD-OAHLLOKOSA-N 0 0 452.357 3.654 20 5 JHBDRN C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC001309692136 1070925576 /nfs/dbraw/zinc/92/55/76/1070925576.db2.gz LGHICIWYMOOUGX-QWRGUYRKSA-N 0 0 453.344 3.890 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001309705959 1070932948 /nfs/dbraw/zinc/93/29/48/1070932948.db2.gz NQBVCJBPKVEHLG-CYBMUJFWSA-N 0 0 459.229 3.932 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001309739963 1070947312 /nfs/dbraw/zinc/94/73/12/1070947312.db2.gz CJCPURAOFNVBSM-UHFFFAOYSA-N 0 0 450.900 3.821 20 5 JHBDRN CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001309744218 1070949315 /nfs/dbraw/zinc/94/93/15/1070949315.db2.gz BSKHTKUTDHNNQU-UWIFEVILSA-N 0 0 453.561 3.612 20 5 JHBDRN COc1ccc(S(=O)(=O)NCc2cc(Br)c3ccccc3c2)cc1[N+](=O)[O-] ZINC001309841606 1070992537 /nfs/dbraw/zinc/99/25/37/1070992537.db2.gz JZYAWUZTWUUOKE-UHFFFAOYSA-N 0 0 451.298 3.998 20 5 JHBDRN CN(Cc1ccccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)c1ccsc1 ZINC001314750020 1071001483 /nfs/dbraw/zinc/00/14/83/1071001483.db2.gz FUIKFQGFSJPUTJ-JOCHJYFZSA-N 0 0 450.524 3.854 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccccn2)n1CCC(=O)N1CCCCCC1 ZINC001314750161 1071001590 /nfs/dbraw/zinc/00/15/90/1071001590.db2.gz RCOWQUBUIRRYGZ-UHFFFAOYSA-N 0 0 477.569 3.601 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCO2)n1CCn1cc(Br)cn1 ZINC001314750776 1071002880 /nfs/dbraw/zinc/00/28/80/1071002880.db2.gz ZPKDBTJCRIFPPK-SFHVURJKSA-N 0 0 490.362 3.724 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC1(C)C ZINC001314751009 1071003226 /nfs/dbraw/zinc/00/32/26/1071003226.db2.gz SANPRNCGZUIUSS-INIZCTEOSA-N 0 0 454.556 3.860 20 5 JHBDRN COC(=O)CCOc1ccc(S(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC001309890427 1071007059 /nfs/dbraw/zinc/00/70/59/1071007059.db2.gz DCGBIGRNWQJBGK-UHFFFAOYSA-N 0 0 450.252 3.611 20 5 JHBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309940650 1071023268 /nfs/dbraw/zinc/02/32/68/1071023268.db2.gz QDZRZPPCFOTLBV-UHFFFAOYSA-N 0 0 457.524 3.500 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001309965810 1071030458 /nfs/dbraw/zinc/03/04/58/1071030458.db2.gz AADHDJGZFQISMR-HRAATJIYSA-N 0 0 453.561 3.609 20 5 JHBDRN CN(Cc1cscn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)c1cccs1 ZINC001314771856 1071037249 /nfs/dbraw/zinc/03/72/49/1071037249.db2.gz RWVJAPCWBUGGPN-FQEVSTJZSA-N 0 0 456.553 3.915 20 5 JHBDRN CCOC(=O)Cc1csc(NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1 ZINC001309982820 1071039281 /nfs/dbraw/zinc/03/92/81/1071039281.db2.gz SXZVSZNHPYSXBV-CYBMUJFWSA-N 0 0 450.370 3.721 20 5 JHBDRN 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CC[C@@H]1CC2(CCC2)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F ZINC001306304286 1068721658 /nfs/dbraw/zinc/72/16/58/1068721658.db2.gz QAUPLVSCGVJIKC-OAHLLOKOSA-N 0 0 466.464 3.691 20 5 JHBDRN C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001310507473 1068989907 /nfs/dbraw/zinc/98/99/07/1068989907.db2.gz OFYYPPYEOZGGMM-LLVKDONJSA-N 0 0 456.318 3.686 20 5 JHBDRN CCOC(=O)[C@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001310508596 1068991026 /nfs/dbraw/zinc/99/10/26/1068991026.db2.gz MLJLQKWHHNUALJ-LJQANCHMSA-N 0 0 450.289 4.000 20 5 JHBDRN CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001306460698 1068995199 /nfs/dbraw/zinc/99/51/99/1068995199.db2.gz ASKMGUYNSQKRPQ-YWEYNIOJSA-N 0 0 495.628 3.733 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC001310528470 1069002318 /nfs/dbraw/zinc/00/23/18/1069002318.db2.gz IJWCMVVOEUNXOJ-UHFFFAOYSA-N 0 0 458.519 3.728 20 5 JHBDRN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C1 ZINC001306499038 1069052743 /nfs/dbraw/zinc/05/27/43/1069052743.db2.gz NMYCGHURPZRBRP-PKOBYXMFSA-N 0 0 472.615 3.882 20 5 JHBDRN Cc1c(NC(=O)N2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc(Br)cc1[N+](=O)[O-] ZINC001310659468 1069092959 /nfs/dbraw/zinc/09/29/59/1069092959.db2.gz BMJRXJBDSVKIAZ-UHFFFAOYSA-N 0 0 455.309 3.750 20 5 JHBDRN COCC[C@@H](Cc1ccco1)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001310712515 1069128096 /nfs/dbraw/zinc/12/80/96/1069128096.db2.gz FEYWSUXIDOGEMR-LBPRGKRZSA-N 0 0 459.240 3.562 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001306526762 1069156569 /nfs/dbraw/zinc/15/65/69/1069156569.db2.gz IBFPAHHNMXVVLG-NZQKXSOJSA-N 0 0 453.547 3.751 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 ZINC001306527676 1069159549 /nfs/dbraw/zinc/15/95/49/1069159549.db2.gz LXKGPBZQKGKYCM-RUZDIDTESA-N 0 0 495.584 3.525 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccc(OCC)n2)CC1 ZINC001306527678 1069159745 /nfs/dbraw/zinc/15/97/45/1069159745.db2.gz LXKGPBZQKGKYCM-VWLOTQADSA-N 0 0 495.584 3.525 20 5 JHBDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)c2)C1=O ZINC001310806079 1069170886 /nfs/dbraw/zinc/17/08/86/1069170886.db2.gz GQQOACMXEBLAKO-JXFKEZNVSA-N 0 0 451.483 3.841 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001306531364 1069172385 /nfs/dbraw/zinc/17/23/85/1069172385.db2.gz QUHCIIXXSBIKBO-HSZRJFAPSA-N 0 0 485.976 3.779 20 5 JHBDRN COC(=O)[C@@H](CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(C)cc1 ZINC001310880403 1069206878 /nfs/dbraw/zinc/20/68/78/1069206878.db2.gz XKBSIMSYKBCWQP-YOEHRIQHSA-N 0 0 457.380 3.902 20 5 JHBDRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000011211540 562957208 /nfs/dbraw/zinc/95/72/08/562957208.db2.gz IABOVDKJCPGFCC-NRFANRHFSA-N 0 0 463.519 3.803 20 5 JHBDRN 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JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)c(Cl)nn2)c1 ZINC001165014716 721764759 /nfs/dbraw/zinc/76/47/59/721764759.db2.gz HWTGKNFUVMOBLL-LZQZEXGQSA-N 0 0 466.872 3.880 20 5 JHBDRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccccc5[N+](=O)[O-])nnc4Cl)C[C@@H]3O2)n1 ZINC001164957761 722043014 /nfs/dbraw/zinc/04/30/14/722043014.db2.gz CAHLAIKHQWWBPU-VBHSOAQHSA-N 0 0 492.870 3.778 20 5 JHBDRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164976447 722097301 /nfs/dbraw/zinc/09/73/01/722097301.db2.gz HCWIKHNWXIKSDS-CKEIUWERSA-N 0 0 451.861 3.734 20 5 JHBDRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)CC[C@H]32)cs1 ZINC001164991045 722175208 /nfs/dbraw/zinc/17/52/08/722175208.db2.gz XDOUROPDCAEPAI-NVXWUHKLSA-N 0 0 473.933 3.823 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987436 722178785 /nfs/dbraw/zinc/17/87/85/722178785.db2.gz NNMJKGDHHBXFCP-ZBFHGGJFSA-N 0 0 458.371 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CCOC(=O)[C@@](C)(CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001310508595 1068991015 /nfs/dbraw/zinc/99/10/15/1068991015.db2.gz MLJLQKWHHNUALJ-IBGZPJMESA-N 0 0 450.289 4.000 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC001310530350 1069002674 /nfs/dbraw/zinc/00/26/74/1069002674.db2.gz UAKJOJLWYJPBLJ-UHFFFAOYSA-N 0 0 458.519 3.728 20 5 JHBDRN CNC(=O)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)Cc1ccc(C(F)(F)F)cc1 ZINC001310530100 1069002909 /nfs/dbraw/zinc/00/29/09/1069002909.db2.gz ZCJSCCGTULGLTL-HNNXBMFYSA-N 0 0 452.433 3.957 20 5 JHBDRN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)onc2CC)C1 ZINC001306498952 1069051736 /nfs/dbraw/zinc/05/17/36/1069051736.db2.gz MARDFLKNVOERJY-SFHVURJKSA-N 0 0 481.557 3.646 20 5 JHBDRN CCCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001306509119 1069098176 /nfs/dbraw/zinc/09/81/76/1069098176.db2.gz KLXWDODOMDVIGN-SAABIXHNSA-N 0 0 458.538 3.877 20 5 JHBDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc([N+](=O)[O-])ncc1Br ZINC001306539126 1069186713 /nfs/dbraw/zinc/18/67/13/1069186713.db2.gz FHJBGILLRHXYJL-UHFFFAOYSA-N 0 0 453.146 3.679 20 5 JHBDRN COC(=O)C[C@](C)(NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cccnc1 ZINC001310878707 1069205680 /nfs/dbraw/zinc/20/56/80/1069205680.db2.gz IFGHCSUXLMIJAS-WMZOPIPTSA-N 0 0 458.368 3.510 20 5 JHBDRN COc1cc(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)cc(Br)c1OC ZINC001311046501 1069256969 /nfs/dbraw/zinc/25/69/69/1069256969.db2.gz VJQSEYAAWMSBCT-UHFFFAOYSA-N 0 0 459.684 3.932 20 5 JHBDRN C[C@@H](NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)c1ccccc1[N+](=O)[O-] ZINC001311064615 1069262806 /nfs/dbraw/zinc/26/28/06/1069262806.db2.gz PUSOKMFCBBFZOU-SNVBAGLBSA-N 0 0 454.302 3.570 20 5 JHBDRN CCC(F)(F)c1ccccc1NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001311121055 1069278804 /nfs/dbraw/zinc/27/88/04/1069278804.db2.gz JDONEOWIQBDOPL-UHFFFAOYSA-N 0 0 456.471 3.539 20 5 JHBDRN Cc1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc(C)c1OCC(F)(F)F ZINC001311240819 1069305530 /nfs/dbraw/zinc/30/55/30/1069305530.db2.gz JSPGMPZVASDTJX-UHFFFAOYSA-N 0 0 454.405 3.916 20 5 JHBDRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2 ZINC001164434595 718982464 /nfs/dbraw/zinc/98/24/64/718982464.db2.gz UGWKLVUESNXPGH-XLIONFOSSA-N 0 0 482.871 3.799 20 5 JHBDRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2 ZINC001164665904 719362311 /nfs/dbraw/zinc/36/23/11/719362311.db2.gz ZEGUBFYVPXRHHK-LBPRGKRZSA-N 0 0 479.875 3.612 20 5 JHBDRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2 ZINC001164662658 719362432 /nfs/dbraw/zinc/36/24/32/719362432.db2.gz CYBKKSMTCUWAKT-CYBMUJFWSA-N 0 0 479.875 3.612 20 5 JHBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001164706358 719855885 /nfs/dbraw/zinc/85/58/85/719855885.db2.gz WOJVDSRPFGJDQM-KOSHJBKYSA-N 0 0 454.958 3.669 20 5 JHBDRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)cn1 ZINC001164710112 720078082 /nfs/dbraw/zinc/07/80/82/720078082.db2.gz HNEBZPKQHOFHAF-MOPGFXCFSA-N 0 0 488.882 3.973 20 5 JHBDRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)cs1 ZINC001164817989 720253482 /nfs/dbraw/zinc/25/34/82/720253482.db2.gz VYOLCWVMBPPMJK-CABCVRRESA-N 0 0 457.890 3.723 20 5 JHBDRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC001164855998 720893702 /nfs/dbraw/zinc/89/37/02/720893702.db2.gz FLUCLWGQHJWAFS-UHFFFAOYSA-N 0 0 451.861 3.716 20 5 JHBDRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164902301 721571666 /nfs/dbraw/zinc/57/16/66/721571666.db2.gz JOCLNAIRPNLYKG-OAHLLOKOSA-N 0 0 465.888 3.945 20 5 JHBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)c(Cl)nn2)cc1 ZINC001165015622 721764941 /nfs/dbraw/zinc/76/49/41/721764941.db2.gz STLVNIUBEKLYSN-MNEFBYGVSA-N 0 0 466.872 3.880 20 5 JHBDRN Cc1nc(CN2CCOC[C@]3(CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)CCO3)C2)cs1 ZINC001164920093 721829371 /nfs/dbraw/zinc/82/93/71/721829371.db2.gz AGSKJZMIYIDXIL-JOCHJYFZSA-N 0 0 489.985 3.669 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)CC[C@H]32)cs1 ZINC001164990395 722178297 /nfs/dbraw/zinc/17/82/97/722178297.db2.gz WGDGOJMWCNICGU-ZBFHGGJFSA-N 0 0 473.933 3.823 20 5 JHBDRN CN1CCN(c2ncnc3c2CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)CC1 ZINC001164997753 722233736 /nfs/dbraw/zinc/23/37/36/722233736.db2.gz VHZBOJDPXDRFBI-UHFFFAOYSA-N 0 0 459.985 3.583 20 5 JHBDRN C[C@](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)(c1ccccc1)C(F)(F)F ZINC001311264866 1069311929 /nfs/dbraw/zinc/31/19/29/1069311929.db2.gz QHNKQTQCQVEBMI-SFHVURJKSA-N 0 0 456.446 3.601 20 5 JHBDRN O=C(NCCCn1cnc2ccccc21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001311443032 1069382453 /nfs/dbraw/zinc/38/24/53/1069382453.db2.gz ZYLIQEQYOMXULJ-UHFFFAOYSA-N 0 0 458.316 3.865 20 5 JHBDRN Cc1ccc(C[C@@H](CO)CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Br ZINC001311609593 1069461417 /nfs/dbraw/zinc/46/14/17/1069461417.db2.gz QAXIUSSZMLVFJT-GDBMZVCRSA-N 0 0 450.333 3.877 20 5 JHBDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001311889644 1069599552 /nfs/dbraw/zinc/59/95/52/1069599552.db2.gz ONYPYBRHGRUXSZ-SFHVURJKSA-N 0 0 455.515 3.525 20 5 JHBDRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC001311890105 1069599679 /nfs/dbraw/zinc/59/96/79/1069599679.db2.gz SQTRFZFLCJKGKE-LEWJYISDSA-N 0 0 455.511 3.741 20 5 JHBDRN O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001306833990 1069650328 /nfs/dbraw/zinc/65/03/28/1069650328.db2.gz YDKWANDBUVHDLS-OAHLLOKOSA-N 0 0 451.445 3.583 20 5 JHBDRN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306852474 1069659527 /nfs/dbraw/zinc/65/95/27/1069659527.db2.gz VQIMMBIHUBFEDC-JTQLQIEISA-N 0 0 456.655 3.685 20 5 JHBDRN 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CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001312241169 1069802661 /nfs/dbraw/zinc/80/26/61/1069802661.db2.gz HXOKUJBBYSYOKB-UHFFFAOYSA-N 0 0 456.499 3.957 20 5 JHBDRN COc1ccc([C@H](CN2CCCC2)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1 ZINC001307078246 1069887482 /nfs/dbraw/zinc/88/74/82/1069887482.db2.gz ZEXPSAJBGFYHTB-SFHVURJKSA-N 0 0 455.483 3.849 20 5 JHBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307076854 1069887510 /nfs/dbraw/zinc/88/75/10/1069887510.db2.gz IBKPCXXGLDPPJB-HXUWFJFHSA-N 0 0 457.552 3.657 20 5 JHBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC001312361872 1069888507 /nfs/dbraw/zinc/88/85/07/1069888507.db2.gz QPMAPVRKNVWPHV-FQEVSTJZSA-N 0 0 458.902 3.914 20 5 JHBDRN CNS(=O)(=O)c1ccc(N2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC001307104677 1069891394 /nfs/dbraw/zinc/89/13/94/1069891394.db2.gz CGSYQJMRXXGMOZ-UHFFFAOYSA-N 0 0 454.346 3.649 20 5 JHBDRN COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)C2=O)c(OC)c1 ZINC001307115198 1069894536 /nfs/dbraw/zinc/89/45/36/1069894536.db2.gz HLOHIYCGYVRSOT-KRWDZBQOSA-N 0 0 450.289 3.588 20 5 JHBDRN COc1ccc(C[C@@H](CO)CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc1Br ZINC001307121765 1069896917 /nfs/dbraw/zinc/89/69/17/1069896917.db2.gz SDTVEWDCQKQOJZ-CQSZACIVSA-N 0 0 454.321 3.811 20 5 JHBDRN CCS(=O)(=O)N1CCC([C@H](C)N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001307135864 1069899018 /nfs/dbraw/zinc/89/90/18/1069899018.db2.gz YNFLRUBRLDTGET-KRWDZBQOSA-N 0 0 459.568 3.712 20 5 JHBDRN Cn1ccnc1[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001307157003 1069901484 /nfs/dbraw/zinc/90/14/84/1069901484.db2.gz MHTIOWJKZPNOED-HXUWFJFHSA-N 0 0 455.540 3.509 20 5 JHBDRN Cn1cc([C@@H]2[C@@H](CNc3c4cccc(Cl)c4ncc3[N+](=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC001307165607 1069902541 /nfs/dbraw/zinc/90/25/41/1069902541.db2.gz NAWOTFPSAOLQMU-ASSNKEHSSA-N 0 0 456.934 3.752 20 5 JHBDRN CC(C)[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001307169158 1069903140 /nfs/dbraw/zinc/90/31/40/1069903140.db2.gz ZWMZBLSQQFCDNM-HXUWFJFHSA-N 0 0 453.511 3.938 20 5 JHBDRN Cn1c(=O)c([N+](=O)[O-])c(N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)c2ccccc21 ZINC001307187845 1069904799 /nfs/dbraw/zinc/90/47/99/1069904799.db2.gz DIBQWGPKVKCNQU-UHFFFAOYSA-N 0 0 456.568 3.775 20 5 JHBDRN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001307208047 1069907234 /nfs/dbraw/zinc/90/72/34/1069907234.db2.gz DDMGKTMBCKRLPO-FUMQJTLXSA-N 0 0 482.537 3.940 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC001307217720 1069908061 /nfs/dbraw/zinc/90/80/61/1069908061.db2.gz KUVPNIQNHLCMBE-OKDJAKQTSA-N 0 0 459.568 3.664 20 5 JHBDRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001307225529 1069908778 /nfs/dbraw/zinc/90/87/78/1069908778.db2.gz CCVHKUBHTXSIJX-OLMNPRSZSA-N 0 0 468.576 3.578 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC001307265576 1069919334 /nfs/dbraw/zinc/91/93/34/1069919334.db2.gz WTSCDXTZXGYFKK-JOCHJYFZSA-N 0 0 456.545 3.913 20 5 JHBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(OCc2cc(F)c(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 ZINC001307300373 1069932493 /nfs/dbraw/zinc/93/24/93/1069932493.db2.gz KFDILIQDIOIZEY-UHFFFAOYSA-N 0 0 456.301 3.783 20 5 JHBDRN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001312517711 1069985007 /nfs/dbraw/zinc/98/50/07/1069985007.db2.gz WOYWXPDCCVBJRF-HZPDHXFCSA-N 0 0 454.593 3.704 20 5 JHBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC001307449696 1069990092 /nfs/dbraw/zinc/99/00/92/1069990092.db2.gz CNAVFMCELTVTSP-QGZVFWFLSA-N 0 0 458.946 3.742 20 5 JHBDRN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001307503454 1070020651 /nfs/dbraw/zinc/02/06/51/1070020651.db2.gz OJTIXILKZDYCLK-OAHLLOKOSA-N 0 0 455.437 3.658 20 5 JHBDRN O=C(Cc1cccc(F)c1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001307526067 1070034919 /nfs/dbraw/zinc/03/49/19/1070034919.db2.gz QAWFWDMKHGOUDS-UHFFFAOYSA-N 0 0 450.308 3.773 20 5 JHBDRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001312638492 1070056712 /nfs/dbraw/zinc/05/67/12/1070056712.db2.gz ZZQDQALSXRPLEB-QGZVFWFLSA-N 0 0 452.389 3.780 20 5 JHBDRN CCOCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001314286791 1070060899 /nfs/dbraw/zinc/06/08/99/1070060899.db2.gz VILZVMIWVLKIQG-UHFFFAOYSA-N 0 0 497.600 3.843 20 5 JHBDRN COc1ccc(OCCN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC001307721347 1070146075 /nfs/dbraw/zinc/14/60/75/1070146075.db2.gz JBQASFYNXJBBCE-FQEVSTJZSA-N 0 0 458.515 3.671 20 5 JHBDRN CCOCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1Cc1ccc(CSC)cc1 ZINC001314344897 1070149794 /nfs/dbraw/zinc/14/97/94/1070149794.db2.gz GMBMRTAJNSMMGY-UHFFFAOYSA-N 0 0 471.587 3.672 20 5 JHBDRN CCOc1cc(N2CCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)ccc1[N+](=O)[O-] ZINC001307734416 1070157653 /nfs/dbraw/zinc/15/76/53/1070157653.db2.gz MZOVEDNHHMQXKI-UHFFFAOYSA-N 0 0 455.540 3.672 20 5 JHBDRN CC1CCN(C(=O)OC[C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001307750792 1070165745 /nfs/dbraw/zinc/16/57/45/1070165745.db2.gz KWDCYRNWVRECCM-KRWDZBQOSA-N 0 0 452.939 3.910 20 5 JHBDRN COC(=O)[C@@](C)(NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001307980820 1070268330 /nfs/dbraw/zinc/26/83/30/1070268330.db2.gz ISJIWMLVYYSGMO-SFHVURJKSA-N 0 0 459.808 3.884 20 5 JHBDRN Cc1ccc(CNC(=O)N2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc1[N+](=O)[O-] ZINC001313157673 1070272533 /nfs/dbraw/zinc/27/25/33/1070272533.db2.gz YRTKDGGSDDMFTB-OAHLLOKOSA-N 0 0 456.528 3.603 20 5 JHBDRN Cc1c(NC(=O)[C@@H](C)N2CCn3c(Cc4ccccc4Cl)nnc3C2)cccc1[N+](=O)[O-] ZINC001308086054 1070308166 /nfs/dbraw/zinc/30/81/66/1070308166.db2.gz DVFFVNDWCQDEQQ-OAHLLOKOSA-N 0 0 454.918 3.582 20 5 JHBDRN CCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001314492289 1070405188 /nfs/dbraw/zinc/40/51/88/1070405188.db2.gz DTBUOPMTHCRIRA-IZAXUBKRSA-N 0 0 486.573 3.556 20 5 JHBDRN CCOc1cc(C(=O)OC)ccc1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308942604 1070463727 /nfs/dbraw/zinc/46/37/27/1070463727.db2.gz JGCZLFRKOPRRNE-UHFFFAOYSA-N 0 0 456.236 3.997 20 5 JHBDRN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nc(C(C)C)cs1 ZINC001314512105 1070473396 /nfs/dbraw/zinc/47/33/96/1070473396.db2.gz DRBMUKWVIBNPQE-HNNXBMFYSA-N 0 0 492.627 3.741 20 5 JHBDRN O=Cc1ccccc1S(=O)(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC001308995884 1070473831 /nfs/dbraw/zinc/47/38/31/1070473831.db2.gz YVEBRKWWEVDAKI-UHFFFAOYSA-N 0 0 451.412 3.948 20 5 JHBDRN COc1ccccc1[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC001309011371 1070483272 /nfs/dbraw/zinc/48/32/72/1070483272.db2.gz FPVWGAGYWNMRSA-KRWDZBQOSA-N 0 0 457.911 3.511 20 5 JHBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309012339 1070483527 /nfs/dbraw/zinc/48/35/27/1070483527.db2.gz ZOEMQYTZLCPPFP-UHFFFAOYSA-N 0 0 459.446 3.668 20 5 JHBDRN CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C(C)C ZINC001314531129 1070525875 /nfs/dbraw/zinc/52/58/75/1070525875.db2.gz LGCHODIMRKBRQE-UHFFFAOYSA-N 0 0 463.585 3.765 20 5 JHBDRN CSCC(=O)Nc1ccc(OS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001309091554 1070535024 /nfs/dbraw/zinc/53/50/24/1070535024.db2.gz SGQPYIYLZWZCFR-UHFFFAOYSA-N 0 0 451.309 3.971 20 5 JHBDRN COc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC001309101332 1070540554 /nfs/dbraw/zinc/54/05/54/1070540554.db2.gz OOIIAGGMZWWQIU-SFHVURJKSA-N 0 0 457.508 3.522 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001309101139 1070540639 /nfs/dbraw/zinc/54/06/39/1070540639.db2.gz NWTVXIQFUGPCQH-OAQYLSRUSA-N 0 0 452.488 3.718 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(Br)c1 ZINC001309120540 1070550352 /nfs/dbraw/zinc/55/03/52/1070550352.db2.gz ASWWKQRTXQKROH-DOTOQJQBSA-N 0 0 459.293 3.695 20 5 JHBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3sccc3Cl)CC2)c(C(F)(F)F)c1 ZINC001309149520 1070569210 /nfs/dbraw/zinc/56/92/10/1070569210.db2.gz NBKQNQBMDIPLNP-UHFFFAOYSA-N 0 0 455.867 3.839 20 5 JHBDRN CCCOc1ccc(Cn2c(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)nnc2C(C)(C)C)cn1 ZINC001313516658 1070577220 /nfs/dbraw/zinc/57/72/20/1070577220.db2.gz KJZDTTQVKWHMSY-UHFFFAOYSA-N 0 0 468.562 3.754 20 5 JHBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)OC ZINC001309176785 1070585796 /nfs/dbraw/zinc/58/57/96/1070585796.db2.gz LDNSBTCHRMDKTQ-LJQANCHMSA-N 0 0 456.520 3.621 20 5 JHBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001309184927 1070591704 /nfs/dbraw/zinc/59/17/04/1070591704.db2.gz ZRXVXBSVMVSAHD-SFHVURJKSA-N 0 0 455.577 3.909 20 5 JHBDRN COc1ccc(S(=O)(=O)N(C)CC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] ZINC001309215575 1070614411 /nfs/dbraw/zinc/61/44/11/1070614411.db2.gz VYSCQVQNLTXMAY-UHFFFAOYSA-N 0 0 455.330 3.718 20 5 JHBDRN CN(CC1(c2ccc(Br)cc2)CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC001309215359 1070614491 /nfs/dbraw/zinc/61/44/91/1070614491.db2.gz RRQLVLRDAGRPPV-UHFFFAOYSA-N 0 0 453.358 3.893 20 5 JHBDRN COc1cc(OC)c(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC001309245778 1070640997 /nfs/dbraw/zinc/64/09/97/1070640997.db2.gz HELTTXVTNSYUKQ-LLVKDONJSA-N 0 0 459.318 3.722 20 5 JHBDRN CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001314599197 1070646629 /nfs/dbraw/zinc/64/66/29/1070646629.db2.gz KRSPXHUGLHQHOK-RBUKOAKNSA-N 0 0 472.615 3.880 20 5 JHBDRN COc1ccc(S(=O)(=O)N2C[C@H](C)Oc3cc(C)c(Br)cc32)c([N+](=O)[O-])c1 ZINC001309267245 1070657614 /nfs/dbraw/zinc/65/76/14/1070657614.db2.gz NIDBHQLWVWDRRT-NSHDSACASA-N 0 0 457.302 3.651 20 5 JHBDRN CCCCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)C1(C)C ZINC001309277136 1070663334 /nfs/dbraw/zinc/66/33/34/1070663334.db2.gz CKHTYUGYJPLYSI-MOPGFXCFSA-N 0 0 456.561 3.684 20 5 JHBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC001309329450 1070703313 /nfs/dbraw/zinc/70/33/13/1070703313.db2.gz LWUIIFYJWLNDKL-MRXNPFEDSA-N 0 0 450.517 3.666 20 5 JHBDRN COc1cccc(C2=CCN(S(=O)(=O)c3cc(Br)c(F)cc3[N+](=O)[O-])C2)c1 ZINC001309338556 1070708822 /nfs/dbraw/zinc/70/88/22/1070708822.db2.gz RPTZGPFKTCFMHH-UHFFFAOYSA-N 0 0 457.277 3.593 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC001309346397 1070712737 /nfs/dbraw/zinc/71/27/37/1070712737.db2.gz TUOQWKJOCFXOMT-SNVBAGLBSA-N 0 0 459.307 3.996 20 5 JHBDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001309376173 1070732698 /nfs/dbraw/zinc/73/26/98/1070732698.db2.gz OLTKBDKBWJFXLB-GFCCVEGCSA-N 0 0 459.366 3.965 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC001309439032 1070771099 /nfs/dbraw/zinc/77/10/99/1070771099.db2.gz HLEVIBWPUQYOTH-CQSZACIVSA-N 0 0 453.920 3.605 20 5 JHBDRN CCOc1cc(N2CCN(S(=O)(=O)CC[C@H]3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001309462001 1070784050 /nfs/dbraw/zinc/78/40/50/1070784050.db2.gz LYYJVKMMTRASDN-LJQANCHMSA-N 0 0 459.568 3.565 20 5 JHBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCOc2ccc(F)c(Cl)c2)c1 ZINC001309516906 1070822168 /nfs/dbraw/zinc/82/21/68/1070822168.db2.gz XJWHBTUHVFFWLM-UHFFFAOYSA-N 0 0 453.673 3.507 20 5 JHBDRN COc1ccc(CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(Cl)c1OC ZINC001309533493 1070834156 /nfs/dbraw/zinc/83/41/56/1070834156.db2.gz IXGYLNBANPRTMH-UHFFFAOYSA-N 0 0 453.275 3.579 20 5 JHBDRN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001309571594 1070863948 /nfs/dbraw/zinc/86/39/48/1070863948.db2.gz SKTJIQUDFQVURP-BRWVUGGUSA-N 0 0 453.561 3.526 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001309567317 1070862311 /nfs/dbraw/zinc/86/23/11/1070862311.db2.gz FEDMHJBZIBXAAE-DLBZAZTESA-N 0 0 453.561 3.785 20 5 JHBDRN Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])s1 ZINC001309610299 1070883348 /nfs/dbraw/zinc/88/33/48/1070883348.db2.gz AFCOVWVZBBUJGZ-CYBMUJFWSA-N 0 0 459.590 3.765 20 5 JHBDRN CC(C)(C)OC(=O)[C@@](C)(CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001309646106 1070899928 /nfs/dbraw/zinc/89/99/28/1070899928.db2.gz AEQYNVMLCRAQAE-FQEVSTJZSA-N 0 0 454.932 3.826 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639286 1070896220 /nfs/dbraw/zinc/89/62/20/1070896220.db2.gz PTXNYCGFHXOTPT-RDJZCZTQSA-N 0 0 450.488 3.891 20 5 JHBDRN CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccsc1 ZINC001314713361 1070900715 /nfs/dbraw/zinc/90/07/15/1070900715.db2.gz HFHDKSHQPFENCO-UHFFFAOYSA-N 0 0 484.626 3.952 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCOc2cc(Br)ccc21 ZINC001309656775 1070906784 /nfs/dbraw/zinc/90/67/84/1070906784.db2.gz RGERQVPGYWYHFR-UHFFFAOYSA-N 0 0 451.657 3.738 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001309746391 1070951141 /nfs/dbraw/zinc/95/11/41/1070951141.db2.gz XXRLFYIFEWEZDE-VQHPVUNQSA-N 0 0 453.561 3.666 20 5 JHBDRN O=C1OCCN1c1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001309758081 1070956634 /nfs/dbraw/zinc/95/66/34/1070956634.db2.gz WZTZKIQXCVQURC-INIZCTEOSA-N 0 0 451.888 3.561 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1Br ZINC001309787051 1070967594 /nfs/dbraw/zinc/96/75/94/1070967594.db2.gz OMXJIWDMBIAWDS-ROUUACIJSA-N 0 0 455.330 3.634 20 5 JHBDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001309789022 1070968243 /nfs/dbraw/zinc/96/82/43/1070968243.db2.gz QQIPEGOJMAYDQF-HIFRSBDPSA-N 0 0 459.952 3.658 20 5 JHBDRN Cc1cc(S(=O)(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)cc([N+](=O)[O-])c1F ZINC001309835539 1070990693 /nfs/dbraw/zinc/99/06/93/1070990693.db2.gz LEOQPZPPWCGFRJ-OXQOHEQNSA-N 0 0 457.524 3.500 20 5 JHBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc(-c4ccc5c(c4)CCO5)no3)c2)c1 ZINC000904685239 1070991787 /nfs/dbraw/zinc/99/17/87/1070991787.db2.gz CNIWIKSCPXSODB-UHFFFAOYSA-N 0 0 480.458 3.753 20 5 JHBDRN Cc1c(Br)cccc1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309838991 1070991835 /nfs/dbraw/zinc/99/18/35/1070991835.db2.gz QAHJCBWQDOUWPM-UHFFFAOYSA-N 0 0 451.701 3.979 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccncc2)n1Cc1ccnc(OC(F)F)c1 ZINC001314749758 1070999508 /nfs/dbraw/zinc/99/95/08/1070999508.db2.gz OFJFMFROCZQBLL-UHFFFAOYSA-N 0 0 481.463 3.853 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC001309933767 1071021849 /nfs/dbraw/zinc/02/18/49/1071021849.db2.gz IZFUVXNKWPIHAV-QGZVFWFLSA-N 0 0 456.858 3.636 20 5 JHBDRN 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YFLAYKRQDLQUKE-UHFFFAOYSA-N 0 0 470.415 3.742 20 5 JHBDRN Cc1ccc(S(=O)(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)cc1[N+](=O)[O-] ZINC001309890012 1071007200 /nfs/dbraw/zinc/00/72/00/1071007200.db2.gz CWTHPNGQBWJAKL-UHFFFAOYSA-N 0 0 458.446 3.975 20 5 JHBDRN C[C@@H](CNS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1)c1ccccc1[N+](=O)[O-] ZINC001309905199 1071011536 /nfs/dbraw/zinc/01/15/36/1071011536.db2.gz UFNBGAWQCPIIAR-SUMWQHHRSA-N 0 0 453.358 3.938 20 5 JHBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001309966897 1071031098 /nfs/dbraw/zinc/03/10/98/1071031098.db2.gz PPPQKKCXUYMIMY-KKSFZXQISA-N 0 0 453.561 3.609 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2cccnc2)n1C[C@H]1CSCCS1 ZINC001314830239 1071161084 /nfs/dbraw/zinc/16/10/84/1071161084.db2.gz ODGTZOMRPGRQEN-IBGZPJMESA-N 0 0 456.597 3.776 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCCCCC1 ZINC001314832010 1071164947 /nfs/dbraw/zinc/16/49/47/1071164947.db2.gz BXQQRGCRNJQDMV-OAQYLSRUSA-N 0 0 484.601 3.552 20 5 JHBDRN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001310160766 1071166169 /nfs/dbraw/zinc/16/61/69/1071166169.db2.gz WWEBIZMSDLYFRC-UHFFFAOYSA-N 0 0 457.821 3.604 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC(F)(F)CO1 ZINC001314832452 1071166881 /nfs/dbraw/zinc/16/68/81/1071166881.db2.gz DFXABIZZZJFDED-WMZOPIPTSA-N 0 0 451.474 3.531 20 5 JHBDRN CCN(C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCO2)C1)CC(F)(F)F ZINC001313789112 1071178345 /nfs/dbraw/zinc/17/83/45/1071178345.db2.gz WVKUPOATFVXMCP-YLJYHZDGSA-N 0 0 494.518 3.909 20 5 JHBDRN CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccco1)CC(F)(F)F ZINC001314850054 1071214524 /nfs/dbraw/zinc/21/45/24/1071214524.db2.gz VZTQQLVBKQTXFC-UHFFFAOYSA-N 0 0 452.437 3.967 20 5 JHBDRN CN(CCn1c(C2CCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC001314861025 1071251821 /nfs/dbraw/zinc/25/18/21/1071251821.db2.gz PAZJBBKLLFEOMG-UHFFFAOYSA-N 0 0 482.507 3.996 20 5 JHBDRN CN(CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001314863689 1071261185 /nfs/dbraw/zinc/26/11/85/1071261185.db2.gz VPIYJAOASJDRFB-UHFFFAOYSA-N 0 0 481.557 3.675 20 5 JHBDRN CCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1 ZINC001313842812 1071329235 /nfs/dbraw/zinc/32/92/35/1071329235.db2.gz IIZODYWBKJDCKO-KRWDZBQOSA-N 0 0 496.572 3.564 20 5 JHBDRN Cc1ccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001310366747 1071343020 /nfs/dbraw/zinc/34/30/20/1071343020.db2.gz XCLHDUZFMFHKLX-ZDUSSCGKSA-N 0 0 455.920 3.863 20 5 JHBDRN CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001314014953 1071755776 /nfs/dbraw/zinc/75/57/76/1071755776.db2.gz YHBZICPYTDGNHD-MJGOQNOKSA-N 0 0 486.573 3.583 20 5 JHBDRN CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001314030227 1071801628 /nfs/dbraw/zinc/80/16/28/1071801628.db2.gz WZOSUUYRHPYZDS-PZJWPPBQSA-N 0 0 488.589 3.875 20 5 JHBDRN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2csc(C)c2)C1 ZINC001314032809 1071810717 /nfs/dbraw/zinc/81/07/17/1071810717.db2.gz LYZLCWMZKCTMFU-GOSISDBHSA-N 0 0 470.555 3.986 20 5 JHBDRN CCO[C@@]1(c2nnc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2CC(F)(F)F)CCOC1 ZINC001314099027 1071981076 /nfs/dbraw/zinc/98/10/76/1071981076.db2.gz HNSZCELAARSGJJ-IBGZPJMESA-N 0 0 455.437 3.570 20 5 JHBDRN CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001305961093 1068293073 /nfs/dbraw/zinc/29/30/73/1068293073.db2.gz XFKQHWBJORKRMV-UHFFFAOYSA-N 0 0 454.556 3.559 20 5 JHBDRN CCc1nn(C)c(OC)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001306051594 1068486093 /nfs/dbraw/zinc/48/60/93/1068486093.db2.gz ZLOFJKQWJFHPJA-QGZVFWFLSA-N 0 0 465.558 3.999 20 5 JHBDRN CCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001306139888 1068541339 /nfs/dbraw/zinc/54/13/39/1068541339.db2.gz FOPJMXCIDHVYKC-UHFFFAOYSA-N 0 0 459.938 3.691 20 5 JHBDRN Cc1ccc(-c2noc(CN3CCN(C(=O)Nc4cc([N+](=O)[O-])c(C)cc4C)CC3)n2)cc1 ZINC001310529825 1069002823 /nfs/dbraw/zinc/00/28/23/1069002823.db2.gz UNZFQBBRXARZHJ-UHFFFAOYSA-N 0 0 450.499 3.920 20 5 JHBDRN CC(C)(C)c1ccc(Cl)cc1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001310627504 1069069026 /nfs/dbraw/zinc/06/90/26/1069069026.db2.gz VZVRIGBDCOYPDR-UHFFFAOYSA-N 0 0 454.936 3.646 20 5 JHBDRN O=C(NCc1cnn(CC2CCC2)c1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001310710911 1069126788 /nfs/dbraw/zinc/12/67/88/1069126788.db2.gz FCSARXYWQCRHPI-UHFFFAOYSA-N 0 0 455.256 3.518 20 5 JHBDRN O=C(Nc1cc(-c2ccncc2)[nH]n1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001310711414 1069126893 /nfs/dbraw/zinc/12/68/93/1069126893.db2.gz NLSQGJJNTKPMDT-UHFFFAOYSA-N 0 0 450.196 3.629 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001306526763 1069156550 /nfs/dbraw/zinc/15/65/50/1069156550.db2.gz IBFPAHHNMXVVLG-OFNKIYASSA-N 0 0 453.547 3.751 20 5 JHBDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c2)C1=O ZINC001310806082 1069171829 /nfs/dbraw/zinc/17/18/29/1069171829.db2.gz GQQOACMXEBLAKO-UZLBHIALSA-N 0 0 451.483 3.841 20 5 JHBDRN CC(C)(C)OC(=O)NC1(CNC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC001310878629 1069205082 /nfs/dbraw/zinc/20/50/82/1069205082.db2.gz FXKLWXDMEZHDIE-ZDUSSCGKSA-N 0 0 450.389 3.694 20 5 JHBDRN CCc1cc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nn1C ZINC001310907829 1069218173 /nfs/dbraw/zinc/21/81/73/1069218173.db2.gz MIOURIRNVARFJH-UHFFFAOYSA-N 0 0 454.556 3.969 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001311019762 1069249757 /nfs/dbraw/zinc/24/97/57/1069249757.db2.gz AUZVCEDXIJKXRX-INIZCTEOSA-N 0 0 451.430 3.909 20 5 JHBDRN CCCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CCC1 ZINC001306598943 1069275076 /nfs/dbraw/zinc/27/50/76/1069275076.db2.gz LXXABTDEUYGZMI-SFHVURJKSA-N 0 0 490.630 3.589 20 5 JHBDRN COC[C@H]1CN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)Cc2cn(C)nc21 ZINC001164694134 719833560 /nfs/dbraw/zinc/83/35/60/719833560.db2.gz FGEGTTWAWWMWDO-CQSZACIVSA-N 0 0 464.860 3.734 20 5 JHBDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820438 720388272 /nfs/dbraw/zinc/38/82/72/720388272.db2.gz BNXIBWPXHGUFJZ-JGGQBBKZSA-N 0 0 460.890 3.906 20 5 JHBDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)[C@H]3CCCO[C@H]23)cs1 ZINC001164821815 720388324 /nfs/dbraw/zinc/38/83/24/720388324.db2.gz IUNWTCLMXSQLKR-XHSDSOJGSA-N 0 0 460.890 3.906 20 5 JHBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC001164848447 720772268 /nfs/dbraw/zinc/77/22/68/720772268.db2.gz PTUYMFWYVDZDHS-NJAFHUGGSA-N 0 0 454.861 3.926 20 5 JHBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H]2COC[C@@H]12)C1CCC1 ZINC001164851724 720805497 /nfs/dbraw/zinc/80/54/97/720805497.db2.gz ZGAMTPVVMXXANX-XUVXKRRUSA-N 0 0 492.910 3.975 20 5 JHBDRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)CC1 ZINC001164858699 720894394 /nfs/dbraw/zinc/89/43/94/720894394.db2.gz NOCAITQMKWACID-UHFFFAOYSA-N 0 0 451.861 3.716 20 5 JHBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764731 721028287 /nfs/dbraw/zinc/02/82/87/721028287.db2.gz NUZJCXZQKQKYBT-LPHOPBHVSA-N 0 0 454.861 3.928 20 5 JHBDRN O=C(c1ccsc1)N1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1 ZINC001164877526 721296348 /nfs/dbraw/zinc/29/63/48/721296348.db2.gz NMKXUODBOVWLSP-LRDDRELGSA-N 0 0 472.901 3.617 20 5 JHBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164779458 721325652 /nfs/dbraw/zinc/32/56/52/721325652.db2.gz YDPXOLYARJJSKX-CYBMUJFWSA-N 0 0 458.824 3.929 20 5 JHBDRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)O1 ZINC001164886623 721460188 /nfs/dbraw/zinc/46/01/88/721460188.db2.gz ICFNKUDPIHVZNW-QYZOEREBSA-N 0 0 493.898 3.513 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1Cl ZINC001164891275 721468898 /nfs/dbraw/zinc/46/88/98/721468898.db2.gz MNXNINKMWXCSSY-CQSZACIVSA-N 0 0 464.860 3.633 20 5 JHBDRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CC2 ZINC001164904049 721571728 /nfs/dbraw/zinc/57/17/28/721571728.db2.gz UFFJDHVNAWKUBA-MRXNPFEDSA-N 0 0 465.888 3.945 20 5 JHBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164811937 721586624 /nfs/dbraw/zinc/58/66/24/721586624.db2.gz ZCPSYYFZSBADDA-BKULYWANSA-N 0 0 480.956 3.968 20 5 JHBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H](OCC3CC3)[C@H]3COC[C@@H]32)c(Cl)nn1 ZINC001165014981 721764985 /nfs/dbraw/zinc/76/49/85/721764985.db2.gz LAGVJHUKWGVBRA-JVPBZIDWSA-N 0 0 466.872 3.880 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cnc1Cl ZINC001164915873 721808796 /nfs/dbraw/zinc/80/87/96/721808796.db2.gz CUTYKJXIJLGDHZ-NORZTCDRSA-N 0 0 460.890 3.845 20 5 JHBDRN 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ZINC001307322152 1069946392 /nfs/dbraw/zinc/94/63/92/1069946392.db2.gz YYQHBSXPSWWUHV-UHFFFAOYSA-N 0 0 459.455 3.577 20 5 JHBDRN CN(C)C(=O)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])c(=O)cc1-c1ccccc1 ZINC001307369912 1069962902 /nfs/dbraw/zinc/96/29/02/1069962902.db2.gz IZWAGPOFLGAIGV-UHFFFAOYSA-N 0 0 456.296 3.936 20 5 JHBDRN CCn1c2nnc(COc3ccc(Br)c(C)c3[N+](=O)[O-])n2c2ccccc2c1=O ZINC001307404412 1069969910 /nfs/dbraw/zinc/96/99/10/1069969910.db2.gz SPEAKOWAQAAZGW-UHFFFAOYSA-N 0 0 458.272 3.622 20 5 JHBDRN CC(C)(C)c1nc(CN2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cs1 ZINC001307436197 1069983110 /nfs/dbraw/zinc/98/31/10/1069983110.db2.gz YNEMCMJHOWGFPT-UHFFFAOYSA-N 0 0 451.980 3.759 20 5 JHBDRN CCOCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001314287679 1070063638 /nfs/dbraw/zinc/06/36/38/1070063638.db2.gz TXHDSZDJJCVUDE-OAQYLSRUSA-N 0 0 472.590 3.817 20 5 JHBDRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312661335 1070068432 /nfs/dbraw/zinc/06/84/32/1070068432.db2.gz KEFGXECPLVITRA-INIZCTEOSA-N 0 0 459.934 3.770 20 5 JHBDRN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307710293 1070138544 /nfs/dbraw/zinc/13/85/44/1070138544.db2.gz VXTVSHPRJJLZQY-INIZCTEOSA-N 0 0 454.955 3.634 20 5 JHBDRN O=C(CN1CCC[C@H](Oc2ncccc2F)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001307742379 1070161263 /nfs/dbraw/zinc/16/12/63/1070161263.db2.gz PNASBSJFALHCJN-INIZCTEOSA-N 0 0 457.487 3.734 20 5 JHBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001307810703 1070194126 /nfs/dbraw/zinc/19/41/26/1070194126.db2.gz MGTUXZAIQCFKHR-LAUBAEHRSA-N 0 0 456.930 3.872 20 5 JHBDRN COC(=O)[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1c1ccc(F)cc1F ZINC001307862030 1070214778 /nfs/dbraw/zinc/21/47/78/1070214778.db2.gz UXVKZKVIMXDTIS-OCBCSQNSSA-N 0 0 458.421 3.873 20 5 JHBDRN CC1(C)Cc2c(cnn2-c2ccccc2)CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307966090 1070262195 /nfs/dbraw/zinc/26/21/95/1070262195.db2.gz DGYAYAXXGSXNBU-UHFFFAOYSA-N 0 0 454.552 3.639 20 5 JHBDRN COc1cc(CN(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC001308049977 1070293147 /nfs/dbraw/zinc/29/31/47/1070293147.db2.gz GDTGTHIEGYGJAP-MRXNPFEDSA-N 0 0 451.426 3.705 20 5 JHBDRN O=C(CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001308058058 1070296673 /nfs/dbraw/zinc/29/66/73/1070296673.db2.gz BNNKFUBWXWXIEH-UJKQEGAGSA-N 0 0 454.708 3.589 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313289880 1070318024 /nfs/dbraw/zinc/31/80/24/1070318024.db2.gz JKPJMABUUYDJOV-MRXNPFEDSA-N 0 0 456.490 3.671 20 5 JHBDRN CC[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)OC(C)(C)C ZINC001313322923 1070327113 /nfs/dbraw/zinc/32/71/13/1070327113.db2.gz VYADYOHWHUHDPR-LBPRGKRZSA-N 0 0 456.337 3.793 20 5 JHBDRN COC(=O)COc1ccc(CNc2cccc(I)c2C)cc1[N+](=O)[O-] ZINC001308368632 1070362666 /nfs/dbraw/zinc/36/26/66/1070362666.db2.gz YYALXODGVXFYFG-UHFFFAOYSA-N 0 0 456.236 3.672 20 5 JHBDRN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CCCS2)C1 ZINC001313461877 1070418784 /nfs/dbraw/zinc/41/87/84/1070418784.db2.gz UPSLZXLKSWRWCP-FDDCHVKYSA-N 0 0 472.615 3.882 20 5 JHBDRN CC(C)(C)OC(=O)C1CCN(c2ccc(CN[C@](C)(CO)c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001308903754 1070456643 /nfs/dbraw/zinc/45/66/43/1070456643.db2.gz YFVGUVAOBSWFRT-XMMPIXPASA-N 0 0 459.543 3.743 20 5 JHBDRN O=Cc1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c([N+](=O)[O-])c1 ZINC001308997789 1070475231 /nfs/dbraw/zinc/47/52/31/1070475231.db2.gz VEIMRROOVQOXRA-UHFFFAOYSA-N 0 0 454.176 3.956 20 5 JHBDRN CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](SCC)C1 ZINC001313479279 1070491001 /nfs/dbraw/zinc/49/10/01/1070491001.db2.gz ZNOYAGNBACPGDL-IBGZPJMESA-N 0 0 460.604 3.882 20 5 JHBDRN CCCN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001309034826 1070499044 /nfs/dbraw/zinc/49/90/44/1070499044.db2.gz BNGQDHXQOIXCMX-UHFFFAOYSA-N 0 0 456.933 3.868 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(Br)c2)ccc1Br ZINC001309115191 1070548086 /nfs/dbraw/zinc/54/80/86/1070548086.db2.gz HHQZJYWYLLLDEA-UHFFFAOYSA-N 0 0 450.108 3.598 20 5 JHBDRN CCCCN(Cc1ccccc1F)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC001309141300 1070563869 /nfs/dbraw/zinc/56/38/69/1070563869.db2.gz YTNNPHFYRYXDKP-UHFFFAOYSA-N 0 0 451.476 3.682 20 5 JHBDRN O=[N+]([O-])c1ccc(OCCNS(=O)(=O)c2ccc3cc(Br)ccc3c2)cc1 ZINC001309161106 1070577807 /nfs/dbraw/zinc/57/78/07/1070577807.db2.gz WUVXZEBJPQKICU-UHFFFAOYSA-N 0 0 451.298 3.868 20 5 JHBDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001309161217 1070577681 /nfs/dbraw/zinc/57/76/81/1070577681.db2.gz RBLBUMSGRUTHBQ-GOSISDBHSA-N 0 0 452.916 3.576 20 5 JHBDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001313521650 1070589079 /nfs/dbraw/zinc/58/90/79/1070589079.db2.gz OMFHRIYCWQIEJI-FQEVSTJZSA-N 0 0 472.590 3.944 20 5 JHBDRN Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001309184930 1070591995 /nfs/dbraw/zinc/59/19/95/1070591995.db2.gz ZUVGORRMBWTPPM-KRWDZBQOSA-N 0 0 455.577 3.964 20 5 JHBDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001309211934 1070611089 /nfs/dbraw/zinc/61/10/89/1070611089.db2.gz JMDOUHHMWJHRQZ-UHFFFAOYSA-N 0 0 459.858 3.566 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC001309220075 1070618827 /nfs/dbraw/zinc/61/88/27/1070618827.db2.gz PKXGMNCSSIJBNO-UHFFFAOYSA-N 0 0 455.330 3.972 20 5 JHBDRN O=C(c1cccc(Cl)c1)N1CCC[C@H](S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001309257020 1070649650 /nfs/dbraw/zinc/64/96/50/1070649650.db2.gz IGWWUPWFYLNOCC-HNNXBMFYSA-N 0 0 459.307 3.915 20 5 JHBDRN CCCCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1(C)C ZINC001309275280 1070662702 /nfs/dbraw/zinc/66/27/02/1070662702.db2.gz QWCQWIIOIBDTOA-LSDHHAIUSA-N 0 0 453.330 3.759 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC001309289840 1070672358 /nfs/dbraw/zinc/67/23/58/1070672358.db2.gz HVQJHMUKMDDAHG-QGZVFWFLSA-N 0 0 457.508 3.541 20 5 JHBDRN COc1ccc(Br)c(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1F ZINC001309292685 1070675264 /nfs/dbraw/zinc/67/52/64/1070675264.db2.gz PWDRZBHGOACRBC-UHFFFAOYSA-N 0 0 459.293 3.858 20 5 JHBDRN COc1ccc(OC(F)F)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC001309309839 1070689004 /nfs/dbraw/zinc/68/90/04/1070689004.db2.gz SBYWRQZAYOIBDX-UHFFFAOYSA-N 0 0 457.238 3.990 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC001309312173 1070691253 /nfs/dbraw/zinc/69/12/53/1070691253.db2.gz KURHTTOISJLBTB-NSHDSACASA-N 0 0 451.314 3.657 20 5 JHBDRN CN(C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CCCO)CC1)C1CCCCC1 ZINC001314619522 1070695311 /nfs/dbraw/zinc/69/53/11/1070695311.db2.gz GSTFJQCTERJUQR-UHFFFAOYSA-N 0 0 484.601 3.633 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC001309357334 1070719395 /nfs/dbraw/zinc/71/93/95/1070719395.db2.gz MDWNUVQANMSASW-UHFFFAOYSA-N 0 0 458.334 3.717 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362318 1070723394 /nfs/dbraw/zinc/72/33/94/1070723394.db2.gz DMDMTBNYNKICPI-QRWLVFNGSA-N 0 0 455.939 3.975 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C ZINC001309362317 1070723490 /nfs/dbraw/zinc/72/34/90/1070723490.db2.gz DMDMTBNYNKICPI-MGPUTAFESA-N 0 0 455.939 3.975 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001309367231 1070727723 /nfs/dbraw/zinc/72/77/23/1070727723.db2.gz NSGDCNUDAUIWDE-LBPRGKRZSA-N 0 0 458.336 3.644 20 5 JHBDRN CN(C)C(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001314637897 1070742496 /nfs/dbraw/zinc/74/24/96/1070742496.db2.gz XOHZDIHWZSARRK-UHFFFAOYSA-N 0 0 469.933 3.549 20 5 JHBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001309415432 1070755249 /nfs/dbraw/zinc/75/52/49/1070755249.db2.gz QFPWTSCZBVEULK-OAQYLSRUSA-N 0 0 454.504 3.709 20 5 JHBDRN CCOC(=O)[C@@H](Cc1cccc2ccccc21)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001309424162 1070761925 /nfs/dbraw/zinc/76/19/25/1070761925.db2.gz ULMGGTGTDMZQHK-OAQYLSRUSA-N 0 0 456.520 3.818 20 5 JHBDRN CCN(CC)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313638807 1070780435 /nfs/dbraw/zinc/78/04/35/1070780435.db2.gz RXJQVRHWEMHXLK-QAPCUYQASA-N 0 0 498.506 3.658 20 5 JHBDRN CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCC2)CC1 ZINC001313639477 1070782559 /nfs/dbraw/zinc/78/25/59/1070782559.db2.gz IVVANDSYZVUMFH-UHFFFAOYSA-N 0 0 484.601 3.633 20 5 JHBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001309473316 1070792763 /nfs/dbraw/zinc/79/27/63/1070792763.db2.gz VCMRLPKEFVMPPJ-CQSZACIVSA-N 0 0 458.323 3.684 20 5 JHBDRN Cc1c(Br)cc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC001309472719 1070792292 /nfs/dbraw/zinc/79/22/92/1070792292.db2.gz PBPQOHCVVBRMQY-KRWDZBQOSA-N 0 0 457.346 3.704 20 5 JHBDRN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3nc(Cc4ccccc4)no3)c2)c1 ZINC000904319487 1070811382 /nfs/dbraw/zinc/81/13/82/1070811382.db2.gz DMFDOOSCDBZPSR-UHFFFAOYSA-N 0 0 452.448 3.742 20 5 JHBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314681127 1070833237 /nfs/dbraw/zinc/83/32/37/1070833237.db2.gz VOHZHGLMXUSFGK-UHFFFAOYSA-N 0 0 486.573 3.726 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC001309533405 1070833596 /nfs/dbraw/zinc/83/35/96/1070833596.db2.gz FHTWXTZMNRQFKB-GJZGRUSLSA-N 0 0 459.590 3.704 20 5 JHBDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313654677 1070840710 /nfs/dbraw/zinc/84/07/10/1070840710.db2.gz MRRFTQPYRQCJTL-UYAOXDASSA-N 0 0 469.590 3.873 20 5 JHBDRN Cn1ccnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001309643732 1070898752 /nfs/dbraw/zinc/89/87/52/1070898752.db2.gz OHUWORQJEFQIEK-HNNXBMFYSA-N 0 0 455.323 3.897 20 5 JHBDRN COC(=O)c1ccc2c(c1)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)CCC2 ZINC001309665296 1070911340 /nfs/dbraw/zinc/91/13/40/1070911340.db2.gz UTVIVFPKUBMPPO-HNNXBMFYSA-N 0 0 452.916 3.742 20 5 JHBDRN O=[N+]([O-])c1cc(OS(=O)(=O)c2cc(Cl)c(Br)cc2F)cc([N+](=O)[O-])c1 ZINC001309672913 1070916314 /nfs/dbraw/zinc/91/63/14/1070916314.db2.gz OUOVFXWKGAIJGJ-UHFFFAOYSA-N 0 0 455.601 3.826 20 5 JHBDRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309681248 1070919773 /nfs/dbraw/zinc/91/97/73/1070919773.db2.gz YZLUKLGUSSTGKX-ZDUSSCGKSA-N 0 0 452.451 3.889 20 5 JHBDRN CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001313684128 1070945522 /nfs/dbraw/zinc/94/55/22/1070945522.db2.gz NTMAVKNSNSTCSZ-FQEVSTJZSA-N 0 0 454.531 3.674 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001309746393 1070951093 /nfs/dbraw/zinc/95/10/93/1070951093.db2.gz XXRLFYIFEWEZDE-YVSFHVDLSA-N 0 0 453.561 3.666 20 5 JHBDRN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309767420 1070960171 /nfs/dbraw/zinc/96/01/71/1070960171.db2.gz KSXLGCKODAUBSZ-RHSMWYFYSA-N 0 0 457.474 3.803 20 5 JHBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC001309848390 1070995287 /nfs/dbraw/zinc/99/52/87/1070995287.db2.gz OGCPKAUKISYLFG-UHFFFAOYSA-N 0 0 452.916 3.689 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCC(F)(F)C1 ZINC001314750158 1071001445 /nfs/dbraw/zinc/00/14/45/1071001445.db2.gz RAZRQCXGWYYSPA-RDJZCZTQSA-N 0 0 462.501 3.989 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001314750231 1071001802 /nfs/dbraw/zinc/00/18/02/1071001802.db2.gz UGYSCJGBYFCASS-IBGZPJMESA-N 0 0 482.507 3.743 20 5 JHBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001309891370 1071007162 /nfs/dbraw/zinc/00/71/62/1071007162.db2.gz NDTOQAQGJPUDCT-UHFFFAOYSA-N 0 0 458.446 3.975 20 5 JHBDRN C[C@@H](CNS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)c1ccccc1[N+](=O)[O-] ZINC001309904958 1071011246 /nfs/dbraw/zinc/01/12/46/1071011246.db2.gz ONVIQURITQMDTQ-LBPRGKRZSA-N 0 0 453.314 3.814 20 5 JHBDRN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001309966216 1071031058 /nfs/dbraw/zinc/03/10/58/1071031058.db2.gz ZWGLQGRVKFDRMG-OAHLLOKOSA-N 0 0 459.540 3.843 20 5 JHBDRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001309997606 1071046937 /nfs/dbraw/zinc/04/69/37/1071046937.db2.gz PWRIQQGCKIHPJV-UHFFFAOYSA-N 0 0 458.540 3.750 20 5 JHBDRN CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC(C)(C)C1 ZINC001314777661 1071050912 /nfs/dbraw/zinc/05/09/12/1071050912.db2.gz SJPWFKQKNDORRZ-UHFFFAOYSA-N 0 0 460.489 3.783 20 5 JHBDRN 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COc1ccc(CNC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001311641215 1069485860 /nfs/dbraw/zinc/48/58/60/1069485860.db2.gz UWRXFHXTCWIDLF-AWEZNQCLSA-N 0 0 454.405 3.580 20 5 JHBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001311660208 1069491788 /nfs/dbraw/zinc/49/17/88/1069491788.db2.gz AKZUARRTCOIGET-CQSZACIVSA-N 0 0 457.840 3.783 20 5 JHBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001311660995 1069492308 /nfs/dbraw/zinc/49/23/08/1069492308.db2.gz PJCCWRDYOSDIEW-GOSISDBHSA-N 0 0 452.280 3.822 20 5 JHBDRN CCOc1cc(N2CCN(C(=O)NCc3ccccc3COC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001311730490 1069525026 /nfs/dbraw/zinc/52/50/26/1069525026.db2.gz LCHCHZCACUDURI-UHFFFAOYSA-N 0 0 456.543 3.950 20 5 JHBDRN CCCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001306761658 1069562510 /nfs/dbraw/zinc/56/25/10/1069562510.db2.gz KKFRLIIXDIRHAE-UHFFFAOYSA-N 0 0 469.546 3.920 20 5 JHBDRN CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001306770873 1069569974 /nfs/dbraw/zinc/56/99/74/1069569974.db2.gz YEJVOCVYGJQISK-UHFFFAOYSA-N 0 0 454.478 3.860 20 5 JHBDRN CNC(=O)COc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC001306835050 1069651085 /nfs/dbraw/zinc/65/10/85/1069651085.db2.gz YNJKQTCSDSLEBX-UHFFFAOYSA-N 0 0 456.680 3.696 20 5 JHBDRN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)nc1Cl ZINC001306836104 1069651034 /nfs/dbraw/zinc/65/10/34/1069651034.db2.gz BLWPFMTWFQAZMZ-UHFFFAOYSA-N 0 0 454.796 3.837 20 5 JHBDRN O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001306833989 1069650277 /nfs/dbraw/zinc/65/02/77/1069650277.db2.gz YDKWANDBUVHDLS-HNNXBMFYSA-N 0 0 451.445 3.583 20 5 JHBDRN COc1ccccc1CCNc1c2ccn(S(=O)(=O)c3ccccc3)c2ncc1[N+](=O)[O-] ZINC001306912165 1069682615 /nfs/dbraw/zinc/68/26/15/1069682615.db2.gz PVUSGMCPWVUDKC-UHFFFAOYSA-N 0 0 452.492 3.845 20 5 JHBDRN O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001306954244 1069689143 /nfs/dbraw/zinc/68/91/43/1069689143.db2.gz WKZVCYJCWUASOO-UHFFFAOYSA-N 0 0 456.243 3.921 20 5 JHBDRN CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC001306969929 1069691942 /nfs/dbraw/zinc/69/19/42/1069691942.db2.gz JBKKQTXBWNFWBI-FQEVSTJZSA-N 0 0 458.584 3.875 20 5 JHBDRN CO[C@@H]1CCOC[C@H]1NC(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001312048423 1069692575 /nfs/dbraw/zinc/69/25/75/1069692575.db2.gz DRFGRXPYBXQVBH-VQIMIIECSA-N 0 0 453.854 3.783 20 5 JHBDRN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001306995033 1069696266 /nfs/dbraw/zinc/69/62/66/1069696266.db2.gz JCCXYGDLKUVQCO-MRXNPFEDSA-N 0 0 458.824 3.698 20 5 JHBDRN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063239 1069699822 /nfs/dbraw/zinc/69/98/22/1069699822.db2.gz IXEZIKFLKURQRV-IFMALSPDSA-N 0 0 451.571 3.695 20 5 JHBDRN Cc1ccc([C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001312121234 1069732219 /nfs/dbraw/zinc/73/22/19/1069732219.db2.gz FICLNRPUUDSPAZ-BBRMVZONSA-N 0 0 450.417 3.784 20 5 JHBDRN C[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC001312209127 1069783408 /nfs/dbraw/zinc/78/34/08/1069783408.db2.gz FZFZPEQLNZWBRB-INIZCTEOSA-N 0 0 451.483 3.883 20 5 JHBDRN CCCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(CC)n2)CC1=O ZINC001307062711 1069860078 /nfs/dbraw/zinc/86/00/78/1069860078.db2.gz VDKPIBMAXPXSKA-UHFFFAOYSA-N 0 0 483.598 3.564 20 5 JHBDRN Nc1ncc(Br)cc1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001307118602 1069895058 /nfs/dbraw/zinc/89/50/58/1069895058.db2.gz NOHSSIOAIZJJSK-UHFFFAOYSA-N 0 0 453.094 3.679 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccn(Cc2ccccc2)n1 ZINC001307117712 1069895114 /nfs/dbraw/zinc/89/51/14/1069895114.db2.gz ZSDRVKJKKHXNFI-UHFFFAOYSA-N 0 0 455.540 3.626 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC001307195563 1069906293 /nfs/dbraw/zinc/90/62/93/1069906293.db2.gz YSOZQCKIICSQRU-NRFANRHFSA-N 0 0 455.577 3.766 20 5 JHBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001307207254 1069907065 /nfs/dbraw/zinc/90/70/65/1069907065.db2.gz FDQCASZDULKUCT-UHFFFAOYSA-N 0 0 450.417 3.949 20 5 JHBDRN Cn1ccnc1C(=O)c1ccc(N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c1 ZINC001307231425 1069909420 /nfs/dbraw/zinc/90/94/20/1069909420.db2.gz NCXCVKNYZMNNFI-FDDCHVKYSA-N 0 0 455.515 3.903 20 5 JHBDRN COc1ccc(OCCN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC001307238499 1069911111 /nfs/dbraw/zinc/91/11/11/1069911111.db2.gz FCGWNGOULUXQMB-IBGZPJMESA-N 0 0 454.266 3.756 20 5 JHBDRN CCOc1ncccc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001314230327 1069915592 /nfs/dbraw/zinc/91/55/92/1069915592.db2.gz HPFUWAPESYWMQI-INIZCTEOSA-N 0 0 452.515 3.699 20 5 JHBDRN 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IGXAMGQLQXHYLL-INIZCTEOSA-N 0 0 456.318 3.594 20 5 JHBDRN Cc1ccnc(-c2noc(CC3CCN(CC(=O)Nc4c(C)cccc4[N+](=O)[O-])CC3)n2)c1 ZINC001308044431 1070290858 /nfs/dbraw/zinc/29/08/58/1070290858.db2.gz JDWYTRBAEGOSMG-UHFFFAOYSA-N 0 0 450.499 3.550 20 5 JHBDRN CO[C@@H]1CCOC[C@H]1N[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001308106384 1070313137 /nfs/dbraw/zinc/31/31/37/1070313137.db2.gz QLLHWUWRVPDWQH-HMXCVIKNSA-N 0 0 468.535 3.792 20 5 JHBDRN Cc1c(NC(=O)[C@H](C)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001308083230 1070307813 /nfs/dbraw/zinc/30/78/13/1070307813.db2.gz RCSZIGMXMMCIHO-GZBFAFLISA-N 0 0 460.453 3.618 20 5 JHBDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308110577 1070315939 /nfs/dbraw/zinc/31/59/39/1070315939.db2.gz JUZJNWXLPWRWLJ-QKKBWIMNSA-N 0 0 452.939 3.956 20 5 JHBDRN CC[C@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)OC(C)(C)C ZINC001313322922 1070327229 /nfs/dbraw/zinc/32/72/29/1070327229.db2.gz 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CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001314481915 1070394607 /nfs/dbraw/zinc/39/46/07/1070394607.db2.gz RJDWIHBENPRNQQ-QGZVFWFLSA-N 0 0 455.519 3.780 20 5 JHBDRN CCCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC001313456087 1070394701 /nfs/dbraw/zinc/39/47/01/1070394701.db2.gz OQLHPAOHJWSLLL-UHFFFAOYSA-N 0 0 494.600 3.611 20 5 JHBDRN CCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001314485840 1070397811 /nfs/dbraw/zinc/39/78/11/1070397811.db2.gz HVJLEAPAGKRCCK-LJQANCHMSA-N 0 0 488.589 3.974 20 5 JHBDRN CCOCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccc(Cl)s2)CC1 ZINC001314496322 1070417079 /nfs/dbraw/zinc/41/70/79/1070417079.db2.gz IEMIXAMBUSCTFS-UHFFFAOYSA-N 0 0 491.017 3.969 20 5 JHBDRN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC1(C)C ZINC001314512589 1070476226 /nfs/dbraw/zinc/47/62/26/1070476226.db2.gz JWKAEYGFNRTIJT-WMZOPIPTSA-N 0 0 463.604 3.939 20 5 JHBDRN 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CC[C@@H](C)NC(=O)c1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001309069678 1070521392 /nfs/dbraw/zinc/52/13/92/1070521392.db2.gz NIOLFPUQOLPROI-GFCCVEGCSA-N 0 0 459.446 3.620 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCCc2nc(-c3ccncc3)cs2)cc1Cl ZINC001309153489 1070572184 /nfs/dbraw/zinc/57/21/84/1070572184.db2.gz DWUAGJDNHULXDS-UHFFFAOYSA-N 0 0 456.908 3.817 20 5 JHBDRN Cc1c(Br)cc(S(=O)(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001309163596 1070579425 /nfs/dbraw/zinc/57/94/25/1070579425.db2.gz VWDLLRATSXRISX-GOSISDBHSA-N 0 0 455.330 3.818 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1C ZINC001309178144 1070586886 /nfs/dbraw/zinc/58/68/86/1070586886.db2.gz DXTLZGGIKKFSPG-KRWDZBQOSA-N 0 0 455.939 3.947 20 5 JHBDRN Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c([N+](=O)[O-])s1 ZINC001309224309 1070624845 /nfs/dbraw/zinc/62/48/45/1070624845.db2.gz OFKAYFOIKXPZML-KRWDZBQOSA-N 0 0 458.521 3.809 20 5 JHBDRN CCC[C@@H]1C[C@H]1n1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001313538019 1070631561 /nfs/dbraw/zinc/63/15/61/1070631561.db2.gz QVFUQYFHOVDZRS-ZDWTUXFCSA-N 0 0 470.574 3.582 20 5 JHBDRN CN(c1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001309260178 1070652427 /nfs/dbraw/zinc/65/24/27/1070652427.db2.gz FLNVFHFPUDQFSR-UHFFFAOYSA-N 0 0 454.346 3.647 20 5 JHBDRN COc1cc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1OCc1cccnc1 ZINC001309264711 1070655339 /nfs/dbraw/zinc/65/53/39/1070655339.db2.gz PROCWFIPXXJHBW-UHFFFAOYSA-N 0 0 457.508 3.673 20 5 JHBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001309289352 1070672369 /nfs/dbraw/zinc/67/23/69/1070672369.db2.gz QOJVREHIWGHUED-FQEVSTJZSA-N 0 0 459.455 3.980 20 5 JHBDRN COc1cc(Br)c(F)cc1S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001309293750 1070675852 /nfs/dbraw/zinc/67/58/52/1070675852.db2.gz YTGSYTYKUIVYKV-UHFFFAOYSA-N 0 0 459.293 3.858 20 5 JHBDRN CCCC[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309296149 1070677991 /nfs/dbraw/zinc/67/79/91/1070677991.db2.gz HMOKAONUSAMIDR-LLVKDONJSA-N 0 0 453.920 3.749 20 5 JHBDRN CCSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001314612822 1070679828 /nfs/dbraw/zinc/67/98/28/1070679828.db2.gz FTRZLVHLXKZMPX-UHFFFAOYSA-N 0 0 472.615 3.835 20 5 JHBDRN CC(C)(COc1ncccc1C(F)(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001309328993 1070702912 /nfs/dbraw/zinc/70/29/12/1070702912.db2.gz HTIHLTGCKRVWRR-UHFFFAOYSA-N 0 0 453.826 3.798 20 5 JHBDRN COc1ccc(C[C@@H](C)CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC001309366150 1070727205 /nfs/dbraw/zinc/72/72/05/1070727205.db2.gz UCEQWQWDBLZTDE-CYBMUJFWSA-N 0 0 457.346 3.865 20 5 JHBDRN CN(C)C(=O)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001314632852 1070736634 /nfs/dbraw/zinc/73/66/34/1070736634.db2.gz GEPPLMMXRSYVOS-WIYYLYMNSA-N 0 0 472.590 3.610 20 5 JHBDRN 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CC(C)(C)OC(=O)N1CCC2(CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001307622773 1070085551 /nfs/dbraw/zinc/08/55/51/1070085551.db2.gz RAJROZFIESKACK-UHFFFAOYSA-N 0 0 452.939 3.910 20 5 JHBDRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001307664414 1070110478 /nfs/dbraw/zinc/11/04/78/1070110478.db2.gz GWXMMBSPQOSRSW-OAHLLOKOSA-N 0 0 456.934 3.972 20 5 JHBDRN CC1(C)C(=O)N(Cc2ccccc2)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001307802006 1070188785 /nfs/dbraw/zinc/18/87/85/1070188785.db2.gz LNYVFMOBCDVPQA-UHFFFAOYSA-N 0 0 455.902 3.921 20 5 JHBDRN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001307804782 1070190620 /nfs/dbraw/zinc/19/06/20/1070190620.db2.gz KQFDQSFERYTKNK-OAHLLOKOSA-N 0 0 455.902 3.741 20 5 JHBDRN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 ZINC001307819697 1070199200 /nfs/dbraw/zinc/19/92/00/1070199200.db2.gz NQXWSACOOGQNSG-INIZCTEOSA-N 0 0 450.927 3.702 20 5 JHBDRN 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Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001306672798 1069398400 /nfs/dbraw/zinc/39/84/00/1069398400.db2.gz NYBMPFIKNNHYEX-UHFFFAOYSA-N 0 0 455.467 3.999 20 5 JHBDRN COc1cc(CCNC(=O)NCc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC001311531335 1069425822 /nfs/dbraw/zinc/42/58/22/1069425822.db2.gz XLPWJUGLFUMIOF-UHFFFAOYSA-N 0 0 457.405 3.595 20 5 JHBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001311547915 1069433572 /nfs/dbraw/zinc/43/35/72/1069433572.db2.gz HHZMSLALTGYVLI-SMDDNHRTSA-N 0 0 458.359 3.825 20 5 JHBDRN CCCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H]2CCOC2)c(C)n1 ZINC001306718949 1069452334 /nfs/dbraw/zinc/45/23/34/1069452334.db2.gz VKAVJRSARBOHQM-SFHVURJKSA-N 0 0 453.547 3.679 20 5 JHBDRN COc1ccccc1[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001311611201 1069462993 /nfs/dbraw/zinc/46/29/93/1069462993.db2.gz JNFSXMGPMHOZMJ-SFHVURJKSA-N 0 0 458.515 3.711 20 5 JHBDRN COCCN(Cc1cc(Br)cs1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001311641750 1069485836 /nfs/dbraw/zinc/48/58/36/1069485836.db2.gz ZGCQALXWHBIWTD-UHFFFAOYSA-N 0 0 458.334 3.786 20 5 JHBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)N[C@@H]3C[C@H]3C3CCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001306859837 1069663552 /nfs/dbraw/zinc/66/35/52/1069663552.db2.gz RVPKUCZRZUNFFI-GHTZIAJQSA-N 0 0 472.567 3.729 20 5 JHBDRN CC1CCC(Oc2cc(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccn2)CC1 ZINC001312004717 1069663952 /nfs/dbraw/zinc/66/39/52/1069663952.db2.gz AQJIIBBGXOXICO-UHFFFAOYSA-N 0 0 453.543 3.979 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC001306949777 1069688241 /nfs/dbraw/zinc/68/82/41/1069688241.db2.gz UBUHOWGXIHEXJS-DAXSKMNVSA-N 0 0 455.458 3.724 20 5 JHBDRN CS(=O)(=O)c1ccnc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)n1 ZINC001306974345 1069692048 /nfs/dbraw/zinc/69/20/48/1069692048.db2.gz RNLLWESHSKVDPI-UHFFFAOYSA-N 0 0 452.851 3.985 20 5 JHBDRN C[C@]1(c2ccccc2)CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCO1 ZINC001306999124 1069696909 /nfs/dbraw/zinc/69/69/09/1069696909.db2.gz IMCVSKVMFOCUKR-HSZRJFAPSA-N 0 0 459.568 3.912 20 5 JHBDRN CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F ZINC001306984534 1069693450 /nfs/dbraw/zinc/69/34/50/1069693450.db2.gz IHPBPACWTJHNAF-OXQOHEQNSA-N 0 0 457.499 3.828 20 5 JHBDRN CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@H](O)c1ccccc1F ZINC001306985785 1069694326 /nfs/dbraw/zinc/69/43/26/1069694326.db2.gz ZLHMTNPFECFKGQ-WIYYLYMNSA-N 0 0 451.520 3.833 20 5 JHBDRN CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC001306990607 1069694829 /nfs/dbraw/zinc/69/48/29/1069694829.db2.gz MPVOSIMPMCDOBR-KXBFYZLASA-N 0 0 453.586 3.779 20 5 JHBDRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001312063241 1069699713 /nfs/dbraw/zinc/69/97/13/1069699713.db2.gz IXEZIKFLKURQRV-RBBKRZOGSA-N 0 0 451.571 3.695 20 5 JHBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc(Br)cn2)CC1 ZINC001312153119 1069751818 /nfs/dbraw/zinc/75/18/18/1069751818.db2.gz MRMXBPRQGJOCDP-UHFFFAOYSA-N 0 0 450.337 3.923 20 5 JHBDRN O=C1C[C@H](CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001307086698 1069888784 /nfs/dbraw/zinc/88/87/84/1069888784.db2.gz FRJJFAQFYAHVQV-OAHLLOKOSA-N 0 0 455.312 3.788 20 5 JHBDRN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307099788 1069890970 /nfs/dbraw/zinc/89/09/70/1069890970.db2.gz LBUVHRHPOGFZLO-LJQANCHMSA-N 0 0 456.499 3.501 20 5 JHBDRN Cc1ccc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC001307111738 1069893668 /nfs/dbraw/zinc/89/36/68/1069893668.db2.gz MWSXUUJRWOHNPA-OAHLLOKOSA-N 0 0 454.346 3.931 20 5 JHBDRN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001307120048 1069896107 /nfs/dbraw/zinc/89/61/07/1069896107.db2.gz KOKRPHDKTJRIIE-OAHLLOKOSA-N 0 0 457.474 3.847 20 5 JHBDRN CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001307130476 1069897761 /nfs/dbraw/zinc/89/77/61/1069897761.db2.gz OFQSOFUBLAWVDT-QGZVFWFLSA-N 0 0 453.948 3.936 20 5 JHBDRN CNC(=O)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccc(C(F)(F)F)cc1 ZINC001307156894 1069901494 /nfs/dbraw/zinc/90/14/94/1069901494.db2.gz KIYQVPGVTBKNKR-AWEZNQCLSA-N 0 0 450.417 3.515 20 5 JHBDRN O=[N+]([O-])c1cc(Br)ccc1Cn1nnc(Cc2cccc(Br)c2)n1 ZINC001307321103 1069945706 /nfs/dbraw/zinc/94/57/06/1069945706.db2.gz OAIDPHKEHHMTAZ-UHFFFAOYSA-N 0 0 453.094 3.745 20 5 JHBDRN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC001307319343 1069944400 /nfs/dbraw/zinc/94/44/00/1069944400.db2.gz DNEXRFXCBSSWFR-UHFFFAOYSA-N 0 0 454.240 3.679 20 5 JHBDRN COc1ccc(CN(C)C(=O)COc2cc(F)c(Br)cc2[N+](=O)[O-])cc1OC ZINC001307337677 1069954995 /nfs/dbraw/zinc/95/49/95/1069954995.db2.gz NMZKYXBIEDPKHN-UHFFFAOYSA-N 0 0 457.252 3.551 20 5 JHBDRN Cc1c(Br)ccc(OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1[N+](=O)[O-] ZINC001307403791 1069970097 /nfs/dbraw/zinc/97/00/97/1069970097.db2.gz NEKLHXXSTMCYJX-UHFFFAOYSA-N 0 0 452.217 3.951 20 5 JHBDRN Cc1c(CNC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001312492631 1069971125 /nfs/dbraw/zinc/97/11/25/1069971125.db2.gz NJTKAQURUJCRJZ-AEFFLSMTSA-N 0 0 456.465 3.768 20 5 JHBDRN COc1ccc(CCC(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC001307436633 1069983227 /nfs/dbraw/zinc/98/32/27/1069983227.db2.gz DILPUGPHHIUEPI-UHFFFAOYSA-N 0 0 451.445 3.899 20 5 JHBDRN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001307472035 1070004636 /nfs/dbraw/zinc/00/46/36/1070004636.db2.gz LARHFMNHAUCIQH-AWEZNQCLSA-N 0 0 452.389 3.535 20 5 JHBDRN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(Cl)c1 ZINC001307489627 1070014593 /nfs/dbraw/zinc/01/45/93/1070014593.db2.gz KZSZNPCCTQFBGU-OAHLLOKOSA-N 0 0 458.902 3.810 20 5 JHBDRN COC(=O)[C@H](c1cccc(Br)c1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001307585264 1070064450 /nfs/dbraw/zinc/06/44/50/1070064450.db2.gz KHAJZJCPGZJPCM-SFHVURJKSA-N 0 0 450.289 3.532 20 5 JHBDRN O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001312714715 1070091422 /nfs/dbraw/zinc/09/14/22/1070091422.db2.gz PLFGICMVNDJLKU-FKEBYFGASA-N 0 0 454.527 3.725 20 5 JHBDRN O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001312714723 1070092359 /nfs/dbraw/zinc/09/23/59/1070092359.db2.gz PLFGICMVNDJLKU-YYTDSSBASA-N 0 0 454.527 3.725 20 5 JHBDRN Cc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]2CCCO2)c(Br)c1 ZINC001307730160 1070153824 /nfs/dbraw/zinc/15/38/24/1070153824.db2.gz MNZRAXPRRSAMRQ-GOSISDBHSA-N 0 0 450.333 3.509 20 5 JHBDRN CCN(CC(=O)N1CCCCCC1)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001307746026 1070163038 /nfs/dbraw/zinc/16/30/38/1070163038.db2.gz CAGYKNZNXLSKNG-INIZCTEOSA-N 0 0 459.572 3.770 20 5 JHBDRN CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001314389659 1070242023 /nfs/dbraw/zinc/24/20/23/1070242023.db2.gz IVZCTKVRWUUAFU-AUSIDOKSSA-N 0 0 486.617 3.891 20 5 JHBDRN C[C@]12CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1C2(Br)Br ZINC001307926181 1070245782 /nfs/dbraw/zinc/24/57/82/1070245782.db2.gz OVLSXVXUTYIOOM-LZWOXQAQSA-N 0 0 473.165 3.528 20 5 JHBDRN CCOCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](C)c1nc(C)cs1 ZINC001314392253 1070247955 /nfs/dbraw/zinc/24/79/55/1070247955.db2.gz WOVBDBKEZQFWPJ-MRXNPFEDSA-N 0 0 471.587 3.618 20 5 JHBDRN Cc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC001313156945 1070272015 /nfs/dbraw/zinc/27/20/15/1070272015.db2.gz SNJOFDCGVYSBSE-UHFFFAOYSA-N 0 0 450.417 3.590 20 5 JHBDRN Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179068 1070283387 /nfs/dbraw/zinc/28/33/87/1070283387.db2.gz UOKFRGRXKZLMQZ-VWNXMTODSA-N 0 0 452.555 3.693 20 5 JHBDRN Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001313179062 1070283735 /nfs/dbraw/zinc/28/37/35/1070283735.db2.gz UOKFRGRXKZLMQZ-LADGPHEKSA-N 0 0 452.555 3.693 20 5 JHBDRN Cc1c(NC(=O)[C@H](C)N2CCn3c(Cc4ccccc4Cl)nnc3C2)cccc1[N+](=O)[O-] ZINC001308086053 1070308284 /nfs/dbraw/zinc/30/82/84/1070308284.db2.gz DVFFVNDWCQDEQQ-HNNXBMFYSA-N 0 0 454.918 3.582 20 5 JHBDRN C[C@H](CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC001313290731 1070318182 /nfs/dbraw/zinc/31/81/82/1070318182.db2.gz MUKFMXHMTIYMEL-CABCVRRESA-N 0 0 456.490 3.890 20 5 JHBDRN O=C(NCC[C@@H]1CCC2(CCC2)O1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001313334095 1070329360 /nfs/dbraw/zinc/32/93/60/1070329360.db2.gz DJDPBYIOFCEZHK-INIZCTEOSA-N 0 0 456.465 3.937 20 5 JHBDRN CCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001314459406 1070363265 /nfs/dbraw/zinc/36/32/65/1070363265.db2.gz RYYUZQULUOSVLR-UHFFFAOYSA-N 0 0 484.601 3.755 20 5 JHBDRN CCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001314485839 1070397795 /nfs/dbraw/zinc/39/77/95/1070397795.db2.gz HVJLEAPAGKRCCK-IBGZPJMESA-N 0 0 488.589 3.974 20 5 JHBDRN CCOCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001314496586 1070416977 /nfs/dbraw/zinc/41/69/77/1070416977.db2.gz JYEZNKYLBQFEPN-UHFFFAOYSA-N 0 0 485.614 3.640 20 5 JHBDRN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2c(C)coc2C)C1 ZINC001313462288 1070420061 /nfs/dbraw/zinc/42/00/61/1070420061.db2.gz VQZJIBFDYCBJON-IBGZPJMESA-N 0 0 466.542 3.854 20 5 JHBDRN COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCC1 ZINC001309011373 1070483376 /nfs/dbraw/zinc/48/33/76/1070483376.db2.gz FPVWGAGYWNMRSA-QGZVFWFLSA-N 0 0 457.911 3.511 20 5 JHBDRN Cc1ccc2ncccc2c1S(=O)(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309019194 1070487606 /nfs/dbraw/zinc/48/76/06/1070487606.db2.gz YEQYDEWYKFFFLH-UHFFFAOYSA-N 0 0 454.430 3.861 20 5 JHBDRN Cc1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c(Br)n1C ZINC001309023205 1070489897 /nfs/dbraw/zinc/48/98/97/1070489897.db2.gz FNMHBPOMXBXNID-UHFFFAOYSA-N 0 0 458.315 3.895 20 5 JHBDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCCc1cc(Br)ccc1F ZINC001309107337 1070543838 /nfs/dbraw/zinc/54/38/38/1070543838.db2.gz PEISJNXZNLXQKP-UHFFFAOYSA-N 0 0 454.277 3.566 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001309101137 1070540497 /nfs/dbraw/zinc/54/04/97/1070540497.db2.gz NWTVXIQFUGPCQH-NRFANRHFSA-N 0 0 452.488 3.718 20 5 JHBDRN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC001309142698 1070564401 /nfs/dbraw/zinc/56/44/01/1070564401.db2.gz UFKFLTJMKAMHPC-MRXNPFEDSA-N 0 0 455.330 3.736 20 5 JHBDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001313520504 1070585649 /nfs/dbraw/zinc/58/56/49/1070585649.db2.gz AUSMBNBREJYMDG-FQEVSTJZSA-N 0 0 493.630 3.852 20 5 JHBDRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001313520509 1070586248 /nfs/dbraw/zinc/58/62/48/1070586248.db2.gz AXWOMCMWJRWKEL-OAQYLSRUSA-N 0 0 484.601 3.945 20 5 JHBDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001313520508 1070586338 /nfs/dbraw/zinc/58/63/38/1070586338.db2.gz AXWOMCMWJRWKEL-NRFANRHFSA-N 0 0 484.601 3.945 20 5 JHBDRN COC(=O)[C@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)Cc1ccc2ccccc2c1 ZINC001309178246 1070587503 /nfs/dbraw/zinc/58/75/03/1070587503.db2.gz WAANCDOBDJLSKH-FQEVSTJZSA-N 0 0 456.520 3.675 20 5 JHBDRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nc(C)no2)CC1 ZINC001313521784 1070590104 /nfs/dbraw/zinc/59/01/04/1070590104.db2.gz PQXZHYUXBGYDMR-HXUWFJFHSA-N 0 0 469.546 3.963 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1NC(=O)C1CC1 ZINC001309202531 1070603904 /nfs/dbraw/zinc/60/39/04/1070603904.db2.gz VAPPUIVFVBKCPS-UHFFFAOYSA-N 0 0 455.286 3.782 20 5 JHBDRN CCSc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2cnccn2)ccn1 ZINC001314585057 1070603919 /nfs/dbraw/zinc/60/39/19/1070603919.db2.gz IXUQIKCDSGXIEB-UHFFFAOYSA-N 0 0 462.539 3.835 20 5 JHBDRN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001309213785 1070612364 /nfs/dbraw/zinc/61/23/64/1070612364.db2.gz LTMSJOQPIZPXMZ-UHFFFAOYSA-N 0 0 451.932 3.518 20 5 JHBDRN CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC001309221217 1070620451 /nfs/dbraw/zinc/62/04/51/1070620451.db2.gz WMKFQLMUSAAGSZ-UHFFFAOYSA-N 0 0 457.302 3.607 20 5 JHBDRN COc1cccc(C(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c2cccc(OC)c2)c1 ZINC001309262662 1070653221 /nfs/dbraw/zinc/65/32/21/1070653221.db2.gz VAQYWIWTLXIASY-UHFFFAOYSA-N 0 0 458.492 3.689 20 5 JHBDRN CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC001313548722 1070663017 /nfs/dbraw/zinc/66/30/17/1070663017.db2.gz PMTZYZYLVHXXJV-IBGZPJMESA-N 0 0 484.582 3.579 20 5 JHBDRN COC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc12 ZINC001309277940 1070664138 /nfs/dbraw/zinc/66/41/38/1070664138.db2.gz AOMMHGUVBLXVSM-UHFFFAOYSA-N 0 0 452.872 3.911 20 5 JHBDRN Cc1ccc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)c(OC[C@H]2CCCO2)c1 ZINC001309298480 1070680124 /nfs/dbraw/zinc/68/01/24/1070680124.db2.gz ZTVKFWLSPKOVSC-MRXNPFEDSA-N 0 0 454.932 3.901 20 5 JHBDRN CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC001309338164 1070708357 /nfs/dbraw/zinc/70/83/57/1070708357.db2.gz RWTJDTJHKWHFJG-UHFFFAOYSA-N 0 0 454.332 3.627 20 5 JHBDRN CN1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001309364523 1070726040 /nfs/dbraw/zinc/72/60/40/1070726040.db2.gz ZPELLKGNSKLUTI-JXFKEZNVSA-N 0 0 455.939 3.542 20 5 JHBDRN COc1ccc2c(c1)CCC[C@@H]2CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001309382933 1070736645 /nfs/dbraw/zinc/73/66/45/1070736645.db2.gz KYYBVIBMHRGRJL-CYBMUJFWSA-N 0 0 455.330 3.764 20 5 JHBDRN O=C1[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCN1C1CCCCC1 ZINC001309404396 1070749456 /nfs/dbraw/zinc/74/94/56/1070749456.db2.gz DTBGWOUGCLGGLD-AWEZNQCLSA-N 0 0 450.344 3.504 20 5 JHBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC001309422774 1070761672 /nfs/dbraw/zinc/76/16/72/1070761672.db2.gz VAIBIMMFLIMCSJ-SFHVURJKSA-N 0 0 453.314 3.568 20 5 JHBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1Cl ZINC001309448017 1070777235 /nfs/dbraw/zinc/77/72/35/1070777235.db2.gz KBBKHGZPFAUSKI-UHFFFAOYSA-N 0 0 459.351 3.908 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc([N+](=O)[O-])c1C ZINC001309470418 1070790423 /nfs/dbraw/zinc/79/04/23/1070790423.db2.gz NBYAKJWAPJKKHH-RDJZCZTQSA-N 0 0 450.488 3.834 20 5 JHBDRN COc1ccc(-c2noc(-c3cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3O)n2)cc1OC ZINC000904284244 1070798526 /nfs/dbraw/zinc/79/85/26/1070798526.db2.gz GHVOUJRVWLDJNK-UHFFFAOYSA-N 0 0 498.473 3.835 20 5 JHBDRN CN(CCc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309488931 1070803671 /nfs/dbraw/zinc/80/36/71/1070803671.db2.gz CUCBIQZGTVIPKZ-UHFFFAOYSA-N 0 0 456.402 3.527 20 5 JHBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC001309510070 1070818871 /nfs/dbraw/zinc/81/88/71/1070818871.db2.gz VDRGXDWRXSVWSE-UHFFFAOYSA-N 0 0 457.899 3.769 20 5 JHBDRN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001314679921 1070830052 /nfs/dbraw/zinc/83/00/52/1070830052.db2.gz FUPAQKCLLCSGPV-HXUWFJFHSA-N 0 0 480.573 3.564 20 5 JHBDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCC2)CC1 ZINC001313653903 1070834066 /nfs/dbraw/zinc/83/40/66/1070834066.db2.gz FJFRGQRLIDCPFJ-UHFFFAOYSA-N 0 0 455.563 3.627 20 5 JHBDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(CC)CCOCC2)CC1 ZINC001313653680 1070834095 /nfs/dbraw/zinc/83/40/95/1070834095.db2.gz DKHRYVVWKIABQD-UHFFFAOYSA-N 0 0 499.616 3.644 20 5 JHBDRN Cc1cc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)cc([N+](=O)[O-])c1F ZINC001309533624 1070834622 /nfs/dbraw/zinc/83/46/22/1070834622.db2.gz VWCNLKWAUUOPHT-AWEZNQCLSA-N 0 0 457.524 3.643 20 5 JHBDRN CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1Br ZINC001309536481 1070837563 /nfs/dbraw/zinc/83/75/63/1070837563.db2.gz KKNMZMIEKQZTJR-UHFFFAOYSA-N 0 0 456.318 3.529 20 5 JHBDRN Cc1cc(C)n(-c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)cc2)n1 ZINC001309582377 1070868925 /nfs/dbraw/zinc/86/89/25/1070868925.db2.gz HUEXECJFLXNGAM-UHFFFAOYSA-N 0 0 452.286 3.928 20 5 JHBDRN CN(CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC(C)(C)C ZINC001309590221 1070872095 /nfs/dbraw/zinc/87/20/95/1070872095.db2.gz NBNVKGSQBRSHAS-UHFFFAOYSA-N 0 0 456.348 3.779 20 5 JHBDRN CC(C)(C)OC(=O)NCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309596335 1070875332 /nfs/dbraw/zinc/87/53/32/1070875332.db2.gz IJJBDZHXGYFBHS-UHFFFAOYSA-N 0 0 455.455 3.585 20 5 JHBDRN 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O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(F)c(Br)cc2F)c2ncccc12 ZINC001309765352 1070959572 /nfs/dbraw/zinc/95/95/72/1070959572.db2.gz GQQRKUZSHVYMTR-UHFFFAOYSA-N 0 0 458.240 3.662 20 5 JHBDRN O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1cc2ccccc2s1 ZINC001309782254 1070965147 /nfs/dbraw/zinc/96/51/47/1070965147.db2.gz MPSNJTFQSLGFNA-UHFFFAOYSA-N 0 0 455.311 3.733 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC1CCCCC1 ZINC001314749874 1071000677 /nfs/dbraw/zinc/00/06/77/1071000677.db2.gz QEIWTTFBLWHEGE-LJQANCHMSA-N 0 0 470.574 3.556 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2ccc[nH]2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001314750160 1071001862 /nfs/dbraw/zinc/00/18/62/1071001862.db2.gz RBYPSLHRRULUSD-UHFFFAOYSA-N 0 0 487.446 3.739 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cc(Br)cn2C)n1CCC1(O)CCC1 ZINC001314750597 1071002377 /nfs/dbraw/zinc/00/23/77/1071002377.db2.gz YDVYYFGBUYTKBH-UHFFFAOYSA-N 0 0 489.374 3.896 20 5 JHBDRN 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CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN(C)CC(F)(F)F)C[C@@H](C)O1 ZINC001306405200 1068871216 /nfs/dbraw/zinc/87/12/16/1068871216.db2.gz BTEDOSWFSFYHBD-CRAIPNDOSA-N 0 0 470.496 3.741 20 5 JHBDRN Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)s1 ZINC001310508448 1068991002 /nfs/dbraw/zinc/99/10/02/1068991002.db2.gz HSFNIIITYMAMRG-UHFFFAOYSA-N 0 0 453.318 3.717 20 5 JHBDRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001310510977 1068992661 /nfs/dbraw/zinc/99/26/61/1068992661.db2.gz RUHJSUVJZLFRPQ-HXUWFJFHSA-N 0 0 452.511 3.787 20 5 JHBDRN Cc1cc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1ccccc1 ZINC001310513181 1068994517 /nfs/dbraw/zinc/99/45/17/1068994517.db2.gz FCYUZRKRPFESHM-UHFFFAOYSA-N 0 0 454.508 3.670 20 5 JHBDRN CCC(CC)[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)N1CCOCC1 ZINC001310660138 1069093421 /nfs/dbraw/zinc/09/34/21/1069093421.db2.gz ACQNUMCUWYXGPO-GOSISDBHSA-N 0 0 457.369 3.924 20 5 JHBDRN 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JHBDRN Cc1ccc(N2CCN(C(=O)N[C@@H](c3cccc([N+](=O)[O-])c3F)C(F)(F)F)CC2=O)cc1 ZINC001310879649 1069206364 /nfs/dbraw/zinc/20/63/64/1069206364.db2.gz QHFHZFUOHHPGIM-SFHVURJKSA-N 0 0 454.380 3.704 20 5 JHBDRN COC(=O)[C@H](CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(C)cc1 ZINC001310880400 1069207071 /nfs/dbraw/zinc/20/70/71/1069207071.db2.gz XKBSIMSYKBCWQP-PBHICJAKSA-N 0 0 457.380 3.902 20 5 JHBDRN Nc1c(NC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC001311046790 1069256654 /nfs/dbraw/zinc/25/66/54/1069256654.db2.gz WZRDJYGZDLUCKL-GFCCVEGCSA-N 0 0 457.796 3.776 20 5 JHBDRN CCC[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(=O)N1CCc2sccc2C1 ZINC001311044267 1069256942 /nfs/dbraw/zinc/25/69/42/1069256942.db2.gz BPRVRHOPHLHREQ-ZDUSSCGKSA-N 0 0 451.936 3.767 20 5 JHBDRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164671102 719500058 /nfs/dbraw/zinc/50/00/58/719500058.db2.gz BKYNTIDGHJPMIA-UHFFFAOYSA-N 0 0 456.305 3.702 20 5 JHBDRN 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CCOc1ccccc1[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC001309275751 1070662611 /nfs/dbraw/zinc/66/26/11/1070662611.db2.gz MOWSAHPUCLDPAT-SFHVURJKSA-N 0 0 450.513 3.846 20 5 JHBDRN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001309283231 1070667599 /nfs/dbraw/zinc/66/75/99/1070667599.db2.gz DXBHXJFUGKVIOV-UHFFFAOYSA-N 0 0 455.330 3.893 20 5 JHBDRN Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)c(C)c1[N+](=O)[O-] ZINC001309307067 1070686622 /nfs/dbraw/zinc/68/66/22/1070686622.db2.gz LYDDPZBASCYGRC-NRFANRHFSA-N 0 0 456.520 3.803 20 5 JHBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001309327924 1070702261 /nfs/dbraw/zinc/70/22/61/1070702261.db2.gz OFIXTMISGSFRFW-SNVBAGLBSA-N 0 0 451.448 3.647 20 5 JHBDRN CCc1ccc(S(=O)(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001309352490 1070716069 /nfs/dbraw/zinc/71/60/69/1070716069.db2.gz SVUFBPQALPHYST-UHFFFAOYSA-N 0 0 453.561 3.569 20 5 JHBDRN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Br ZINC001309360178 1070721711 /nfs/dbraw/zinc/72/17/11/1070721711.db2.gz BBCFTLQKERKWBB-MRXNPFEDSA-N 0 0 459.343 3.802 20 5 JHBDRN COc1c(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc(Br)c(C)c1[N+](=O)[O-] ZINC001309375006 1070731997 /nfs/dbraw/zinc/73/19/97/1070731997.db2.gz BDFXNBFCJDIMMW-UHFFFAOYSA-N 0 0 459.240 3.557 20 5 JHBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC001309393433 1070742318 /nfs/dbraw/zinc/74/23/18/1070742318.db2.gz SODQFIWYEZBIPG-KRWDZBQOSA-N 0 0 458.496 3.959 20 5 JHBDRN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001309394809 1070743929 /nfs/dbraw/zinc/74/39/29/1070743929.db2.gz FYKMLGXXEANYRK-UHFFFAOYSA-N 0 0 454.277 3.725 20 5 JHBDRN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1[N+](=O)[O-] ZINC001309443910 1070774083 /nfs/dbraw/zinc/77/40/83/1070774083.db2.gz GHNRXDWDSWIBHW-HNNXBMFYSA-N 0 0 454.346 3.531 20 5 JHBDRN CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)cn1 ZINC001314660037 1070783428 /nfs/dbraw/zinc/78/34/28/1070783428.db2.gz DIRSUQGLZLQOLH-KRWDZBQOSA-N 0 0 457.485 3.844 20 5 JHBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001309473500 1070793002 /nfs/dbraw/zinc/79/30/02/1070793002.db2.gz YNGBTPGZWLTYTH-CQSZACIVSA-N 0 0 458.323 3.684 20 5 JHBDRN CCOc1cc(OS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)ccc1[N+](=O)[O-] ZINC001309473537 1070793014 /nfs/dbraw/zinc/79/30/14/1070793014.db2.gz ZAXJECUFKJZLFW-UHFFFAOYSA-N 0 0 450.803 3.651 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1C ZINC001309481469 1070797634 /nfs/dbraw/zinc/79/76/34/1070797634.db2.gz PCISONJABXHUMJ-SFHVURJKSA-N 0 0 453.561 3.623 20 5 JHBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc1[N+](=O)[O-] ZINC001309541160 1070840576 /nfs/dbraw/zinc/84/05/76/1070840576.db2.gz OHWFIRINYMHLKZ-ZDUSSCGKSA-N 0 0 452.920 3.516 20 5 JHBDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1nccn1-c1ccccc1 ZINC001309550458 1070849345 /nfs/dbraw/zinc/84/93/45/1070849345.db2.gz XHJOCFLGGWIZQN-GFCCVEGCSA-N 0 0 451.302 3.583 20 5 JHBDRN COc1cc(Br)c(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC001309554681 1070853625 /nfs/dbraw/zinc/85/36/25/1070853625.db2.gz RQVWULSANPXKTI-UHFFFAOYSA-N 0 0 452.666 3.796 20 5 JHBDRN Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001309611596 1070884000 /nfs/dbraw/zinc/88/40/00/1070884000.db2.gz VZMLIYJYVOKJBK-INIZCTEOSA-N 0 0 453.561 3.703 20 5 JHBDRN Cc1c(Br)cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001309610993 1070884208 /nfs/dbraw/zinc/88/42/08/1070884208.db2.gz RMZGOKVXCANUOD-QGZVFWFLSA-N 0 0 459.362 3.636 20 5 JHBDRN C[C@H]1[C@H](c2cccc(F)c2)OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001309615187 1070885879 /nfs/dbraw/zinc/88/58/79/1070885879.db2.gz VYHRIARYWDVESX-APPDUMDISA-N 0 0 459.293 3.647 20 5 JHBDRN C[C@@H]1CN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001309643560 1070898435 /nfs/dbraw/zinc/89/84/35/1070898435.db2.gz KFBKSGJCCXULPH-KURKYZTESA-N 0 0 454.552 3.815 20 5 JHBDRN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC001309660310 1070908663 /nfs/dbraw/zinc/90/86/63/1070908663.db2.gz DZINCVMWNNQSPC-INIZCTEOSA-N 0 0 455.330 3.736 20 5 JHBDRN COc1c(F)cc(S(=O)(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)cc1[N+](=O)[O-] ZINC001309685896 1070922622 /nfs/dbraw/zinc/92/26/22/1070922622.db2.gz NTDXSMUTGRCLDK-KRWDZBQOSA-N 0 0 458.895 3.937 20 5 JHBDRN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[C@@H]1C(=O)OC(C)(C)C ZINC001309692135 1070925421 /nfs/dbraw/zinc/92/54/21/1070925421.db2.gz LGHICIWYMOOUGX-MNOVXSKESA-N 0 0 453.344 3.890 20 5 JHBDRN CCOCCCN(c1ccncc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC001309727816 1070941936 /nfs/dbraw/zinc/94/19/36/1070941936.db2.gz DZFMZBPPSYXYQR-UHFFFAOYSA-N 0 0 458.334 3.683 20 5 JHBDRN COc1cccc(-c2noc(-c3cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3O)n2)c1 ZINC000904602341 1070955921 /nfs/dbraw/zinc/95/59/21/1070955921.db2.gz KBZHOJYXWARUDS-UHFFFAOYSA-N 0 0 468.447 3.827 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001309819586 1070983115 /nfs/dbraw/zinc/98/31/15/1070983115.db2.gz VBWSGSJUXFQYHB-QGZVFWFLSA-N 0 0 452.916 3.992 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001309829995 1070987953 /nfs/dbraw/zinc/98/79/53/1070987953.db2.gz BQFCCTDARAPKNI-ZDUSSCGKSA-N 0 0 452.895 3.838 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)C1CCCCC1 ZINC001314749022 1070999019 /nfs/dbraw/zinc/99/90/19/1070999019.db2.gz GSJQHNMSNNUCNE-HSZRJFAPSA-N 0 0 453.547 3.555 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CNC(=O)c2cccs2)n1CCC(C)(F)F ZINC001314751014 1071003455 /nfs/dbraw/zinc/00/34/55/1071003455.db2.gz SGCNOIXZHZHMLI-UHFFFAOYSA-N 0 0 464.498 3.860 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCO1 ZINC001314750112 1071001300 /nfs/dbraw/zinc/00/13/00/1071001300.db2.gz HLGKKVSUORHLNW-OTWHNJEPSA-N 0 0 486.573 3.772 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001309909298 1071013241 /nfs/dbraw/zinc/01/32/41/1071013241.db2.gz JMEKTDVZKXVKMK-SNVBAGLBSA-N 0 0 450.826 3.544 20 5 JHBDRN CC(C)(C)OC(=O)Nc1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC001309920474 1071017926 /nfs/dbraw/zinc/01/79/26/1071017926.db2.gz GLGUOMZYIIGKNO-UHFFFAOYSA-N 0 0 451.476 3.828 20 5 JHBDRN CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001313751209 1071085283 /nfs/dbraw/zinc/08/52/83/1071085283.db2.gz YARBXBYDKQHDQB-ZWKOTPCHSA-N 0 0 453.547 3.819 20 5 JHBDRN CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001313750457 1071082074 /nfs/dbraw/zinc/08/20/74/1071082074.db2.gz JPBYZXNDNMJWRW-REWPJTCUSA-N 0 0 453.547 3.961 20 5 JHBDRN CN(C[C@H]1CCCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOc1ccc(Cl)cn1 ZINC001314803149 1071086543 /nfs/dbraw/zinc/08/65/43/1071086543.db2.gz QNABZGGEMSNORU-LJQANCHMSA-N 0 0 472.933 3.986 20 5 JHBDRN Cn1cc([C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001310077551 1071101669 /nfs/dbraw/zinc/10/16/69/1071101669.db2.gz XSVRGBKZVVZVCJ-GOEBONIOSA-N 0 0 464.910 3.506 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCOC2)n1CCSCC(F)(F)F ZINC001314829018 1071157666 /nfs/dbraw/zinc/15/76/66/1071157666.db2.gz DASSISGEUJNMMZ-HNNXBMFYSA-N 0 0 459.494 3.665 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCOC2)n1CC(F)(F)Br ZINC001314829255 1071158978 /nfs/dbraw/zinc/15/89/78/1071158978.db2.gz GJUYAAPMYWEAHJ-CQSZACIVSA-N 0 0 474.306 3.747 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc[nH]2)n1Cc1nccc(C(F)F)n1 ZINC001314830074 1071161044 /nfs/dbraw/zinc/16/10/44/1071161044.db2.gz MHTGRUIVZXDURT-UHFFFAOYSA-N 0 0 454.441 3.636 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2cccnc2)n1CC(F)(F)Br ZINC001314832596 1071166940 /nfs/dbraw/zinc/16/69/40/1071166940.db2.gz FZDJYNSBDMGNBF-UHFFFAOYSA-N 0 0 481.301 3.839 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCSC1(C)C ZINC001314833978 1071171898 /nfs/dbraw/zinc/17/18/98/1071171898.db2.gz POYOWNKAMZGBJQ-SFHVURJKSA-N 0 0 472.615 3.519 20 5 JHBDRN CN(CCCc1ccccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(F)(F)CO1 ZINC001314843749 1071196073 /nfs/dbraw/zinc/19/60/73/1071196073.db2.gz MYKRSAMTBKRIBN-IBGZPJMESA-N 0 0 458.469 3.742 20 5 JHBDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001310201674 1071203096 /nfs/dbraw/zinc/20/30/96/1071203096.db2.gz ADHJXHURWFIROL-NSHDSACASA-N 0 0 451.277 3.652 20 5 JHBDRN CN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H](C2CCC2)C1)CC(F)(F)F ZINC001314858909 1071246466 /nfs/dbraw/zinc/24/64/66/1071246466.db2.gz SUGNUNWYZPEYRS-GOSISDBHSA-N 0 0 482.507 3.600 20 5 JHBDRN 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CCOCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001314454255 1070352895 /nfs/dbraw/zinc/35/28/95/1070352895.db2.gz BIYBCFUJPMDCNR-NHCUHLMSSA-N 0 0 489.621 3.960 20 5 JHBDRN COC(=O)COc1ccc(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC001308574878 1070393193 /nfs/dbraw/zinc/39/31/93/1070393193.db2.gz FSYZKLQWQAHJRF-UHFFFAOYSA-N 0 0 450.495 3.756 20 5 JHBDRN CCCNC(=O)c1cccc(Cn2c([C@H](C)CC)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)c1 ZINC001313461086 1070414288 /nfs/dbraw/zinc/41/42/88/1070414288.db2.gz KVSMCXCRXUKCFI-GOSISDBHSA-N 0 0 494.600 3.926 20 5 JHBDRN CCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)CC1 ZINC001313469073 1070450946 /nfs/dbraw/zinc/45/09/46/1070450946.db2.gz SBGRNHKCMVMTBH-UHFFFAOYSA-N 0 0 468.583 3.900 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCCc1ccc(F)c(Br)c1 ZINC001309080020 1070527659 /nfs/dbraw/zinc/52/76/59/1070527659.db2.gz UGOBAHQRUFUBSJ-UHFFFAOYSA-N 0 0 451.701 3.979 20 5 JHBDRN 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Cc1cc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)ccc1[N+](=O)[O-] ZINC001310488251 1071426863 /nfs/dbraw/zinc/42/68/63/1071426863.db2.gz IKURJZIVYDQOFJ-UHFFFAOYSA-N 0 0 456.890 3.956 20 5 JHBDRN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C(C)C)n2)C1 ZINC001314967096 1071452070 /nfs/dbraw/zinc/45/20/70/1071452070.db2.gz XHLRKGGPAHZPPV-QHCPKHFHSA-N 0 0 483.598 3.638 20 5 JHBDRN CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSCC(C)C)CC1=O ZINC001313917005 1071554224 /nfs/dbraw/zinc/55/42/24/1071554224.db2.gz PQCWAECGZKBAPE-UHFFFAOYSA-N 0 0 460.604 3.691 20 5 JHBDRN CCNC(=O)C1(Cn2c(-c3cccnc3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC1 ZINC001313980514 1071716410 /nfs/dbraw/zinc/71/64/10/1071716410.db2.gz DDTOXNQDNFGSIM-UHFFFAOYSA-N 0 0 477.569 3.970 20 5 JHBDRN CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001314014954 1071755711 /nfs/dbraw/zinc/75/57/11/1071755711.db2.gz YHBZICPYTDGNHD-PKOBYXMFSA-N 0 0 486.573 3.583 20 5 JHBDRN 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20 5 JHBDRN CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001309284392 1070669004 /nfs/dbraw/zinc/66/90/04/1070669004.db2.gz MQWFLXRNHVOQHA-UHFFFAOYSA-N 0 0 451.302 3.568 20 5 JHBDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001309281667 1070666968 /nfs/dbraw/zinc/66/69/68/1070666968.db2.gz ZJHHUISGVHGRNH-LBPRGKRZSA-N 0 0 452.451 3.746 20 5 JHBDRN Cc1ccc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)c(OC[C@@H]2CCCO2)c1 ZINC001309298479 1070680142 /nfs/dbraw/zinc/68/01/42/1070680142.db2.gz ZTVKFWLSPKOVSC-INIZCTEOSA-N 0 0 454.932 3.901 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001309291783 1070673755 /nfs/dbraw/zinc/67/37/55/1070673755.db2.gz DQXIIXGGJZVKMU-OAHLLOKOSA-N 0 0 454.346 3.931 20 5 JHBDRN CCCN(C(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001309291920 1070673791 /nfs/dbraw/zinc/67/37/91/1070673791.db2.gz JEDNTAFTWDBZFZ-UHFFFAOYSA-N 0 0 451.570 3.670 20 5 JHBDRN COC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001309313950 1070691879 /nfs/dbraw/zinc/69/18/79/1070691879.db2.gz WFYWTVVRSJKSCX-UHFFFAOYSA-N 0 0 455.920 3.974 20 5 JHBDRN O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)c1cccs1 ZINC001309360398 1070722251 /nfs/dbraw/zinc/72/22/51/1070722251.db2.gz FVHSCWABRDZEDE-NSHDSACASA-N 0 0 459.343 3.845 20 5 JHBDRN CN(C)C(=O)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001314628134 1070722992 /nfs/dbraw/zinc/72/29/92/1070722992.db2.gz IWLMBSVZGPECAV-UHFFFAOYSA-N 0 0 495.584 3.882 20 5 JHBDRN O=[N+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC001309368896 1070729202 /nfs/dbraw/zinc/72/92/02/1070729202.db2.gz XNPPNDPZSVJMRK-UHFFFAOYSA-N 0 0 453.236 3.897 20 5 JHBDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001309376174 1070732687 /nfs/dbraw/zinc/73/26/87/1070732687.db2.gz OLTKBDKBWJFXLB-LBPRGKRZSA-N 0 0 459.366 3.965 20 5 JHBDRN Cc1nc2ccccc2n1C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309372761 1070731146 /nfs/dbraw/zinc/73/11/46/1070731146.db2.gz GJCNLKOFJPOAQN-CYBMUJFWSA-N 0 0 452.895 3.899 20 5 JHBDRN CN(C)c1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C(C)(C)C)C2)cn1 ZINC001314660805 1070785193 /nfs/dbraw/zinc/78/51/93/1070785193.db2.gz KUZAOFKWEFMSIJ-FQEVSTJZSA-N 0 0 465.558 3.614 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1C ZINC001309464950 1070786986 /nfs/dbraw/zinc/78/69/86/1070786986.db2.gz QTNWHYWMEWGXDM-RDJZCZTQSA-N 0 0 450.488 3.834 20 5 JHBDRN COc1c(F)cc(S(=O)(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001309488385 1070802873 /nfs/dbraw/zinc/80/28/73/1070802873.db2.gz OCJUDCYBFZQQFF-GOSISDBHSA-N 0 0 458.895 3.842 20 5 JHBDRN COC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(OCC3CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001309526308 1070828441 /nfs/dbraw/zinc/82/84/41/1070828441.db2.gz KQTHCEJQGMEZCK-UHFFFAOYSA-N 0 0 456.860 3.983 20 5 JHBDRN C[C@H](NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC001309531862 1070832381 /nfs/dbraw/zinc/83/23/81/1070832381.db2.gz RHFFQSQFCLKQAX-AWEZNQCLSA-N 0 0 456.480 3.529 20 5 JHBDRN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001309549233 1070848499 /nfs/dbraw/zinc/84/84/99/1070848499.db2.gz SZCSCAPZLIVXGN-FQEVSTJZSA-N 0 0 455.964 3.925 20 5 JHBDRN CC[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)OCCc2ccccc21 ZINC001309559868 1070856848 /nfs/dbraw/zinc/85/68/48/1070856848.db2.gz ULBHDZUXEWMRPP-SFHVURJKSA-N 0 0 455.330 3.514 20 5 JHBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001309562961 1070859550 /nfs/dbraw/zinc/85/95/50/1070859550.db2.gz CPOIJTHROLQYRM-NOZJJQNGSA-N 0 0 465.322 3.757 20 5 JHBDRN C[C@H]1C[C@@H]1c1noc(CC2CCN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)CC2)n1 ZINC001309653802 1070905126 /nfs/dbraw/zinc/90/51/26/1070905126.db2.gz MDPGLLONYRPQDE-JQWIXIFHSA-N 0 0 458.899 3.537 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC001309676477 1070917707 /nfs/dbraw/zinc/91/77/07/1070917707.db2.gz XRDYNDMBPZPJOC-QGZVFWFLSA-N 0 0 453.561 3.643 20 5 JHBDRN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2F)CC2CC2)cc([N+](=O)[O-])c1C ZINC001309692254 1070925365 /nfs/dbraw/zinc/92/53/65/1070925365.db2.gz FAPUQFMXMGYJJY-UHFFFAOYSA-N 0 0 450.488 3.820 20 5 JHBDRN C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[C@H]1C(=O)OC(C)(C)C ZINC001309692137 1070925383 /nfs/dbraw/zinc/92/53/83/1070925383.db2.gz LGHICIWYMOOUGX-WDEREUQCSA-N 0 0 453.344 3.890 20 5 JHBDRN CC1(C)CC(=O)Oc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)cc21 ZINC001309693303 1070926284 /nfs/dbraw/zinc/92/62/84/1070926284.db2.gz APLOQUPKNWRXIU-UHFFFAOYSA-N 0 0 456.270 3.712 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001309751563 1070953211 /nfs/dbraw/zinc/95/32/11/1070953211.db2.gz BJYAHAVOHLUWSU-GOSISDBHSA-N 0 0 452.488 3.744 20 5 JHBDRN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC001309818607 1070982195 /nfs/dbraw/zinc/98/21/95/1070982195.db2.gz BEZFWGJZZIMETC-NSHDSACASA-N 0 0 457.302 3.574 20 5 JHBDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001309826874 1070985897 /nfs/dbraw/zinc/98/58/97/1070985897.db2.gz WFRMLYPXDPYNIY-QFBILLFUSA-N 0 0 459.952 3.767 20 5 JHBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc2ncccc2c1 ZINC001309850186 1070995251 /nfs/dbraw/zinc/99/52/51/1070995251.db2.gz VGYYIDADNWZSDE-UHFFFAOYSA-N 0 0 450.314 3.735 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(-c2cnccn2)n1Cc1nc(C(F)(F)F)cs1 ZINC001314750722 1071002399 /nfs/dbraw/zinc/00/23/99/1071002399.db2.gz YWLOFLOMOAQUEE-UHFFFAOYSA-N 0 0 476.444 3.803 20 5 JHBDRN CN(Cc1cscn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001314772206 1071038730 /nfs/dbraw/zinc/03/87/30/1071038730.db2.gz YQEZBSJMKVIWDA-CQSZACIVSA-N 0 0 481.504 3.830 20 5 JHBDRN CCOc1cc(NC(=O)N(C)Cc2ncc(Br)cn2)c([N+](=O)[O-])cc1OCC ZINC001309999781 1071048419 /nfs/dbraw/zinc/04/84/19/1071048419.db2.gz PTMQTCLILNERSV-UHFFFAOYSA-N 0 0 454.281 3.609 20 5 JHBDRN CCOc1cc(NC(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC001310000162 1071048981 /nfs/dbraw/zinc/04/89/81/1071048981.db2.gz ZTXNQLMCAOSUAP-GJZGRUSLSA-N 0 0 456.499 3.880 20 5 JHBDRN CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1 ZINC001314819284 1071132221 /nfs/dbraw/zinc/13/22/21/1071132221.db2.gz ORGXZAPQTWSUEY-IBGZPJMESA-N 0 0 461.588 3.974 20 5 JHBDRN COC(=O)c1cnc([C@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)s1 ZINC001310159557 1071164156 /nfs/dbraw/zinc/16/41/56/1071164156.db2.gz HSLRMYAVISSRFX-JTQLQIEISA-N 0 0 456.427 3.851 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCO2)n1CCCN1CCCCCC1=O ZINC001314833481 1071169936 /nfs/dbraw/zinc/16/99/36/1071169936.db2.gz MYVBBRIKHZQXEL-OAQYLSRUSA-N 0 0 470.574 3.509 20 5 JHBDRN CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCSC1(C)C ZINC001314833976 1071172085 /nfs/dbraw/zinc/17/20/85/1071172085.db2.gz POYOWNKAMZGBJQ-GOSISDBHSA-N 0 0 472.615 3.519 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(Cc2ccsc2)n1C[C@@H]1CC(F)(F)CO1 ZINC001314834616 1071174366 /nfs/dbraw/zinc/17/43/66/1071174366.db2.gz VAYZKDSNZFWSDD-KRWDZBQOSA-N 0 0 463.510 3.942 20 5 JHBDRN CCN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCO2)C1)CC(F)(F)F ZINC001313789109 1071177670 /nfs/dbraw/zinc/17/76/70/1071177670.db2.gz WVKUPOATFVXMCP-FXAWDEMLSA-N 0 0 494.518 3.909 20 5 JHBDRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001310201673 1071203182 /nfs/dbraw/zinc/20/31/82/1071203182.db2.gz ADHJXHURWFIROL-LLVKDONJSA-N 0 0 451.277 3.652 20 5 JHBDRN CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cscn1)CC(F)(F)F ZINC001314848223 1071208144 /nfs/dbraw/zinc/20/81/44/1071208144.db2.gz DBBSGDLVASLCRF-UHFFFAOYSA-N 0 0 469.493 3.830 20 5 JHBDRN CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(C1)CCOCC2)CC(F)(F)F ZINC001314848772 1071209976 /nfs/dbraw/zinc/20/99/76/1071209976.db2.gz JYNYFKBGNFJBMF-UHFFFAOYSA-N 0 0 482.507 3.744 20 5 JHBDRN CN(CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001314863818 1071260926 /nfs/dbraw/zinc/26/09/26/1071260926.db2.gz ZXCMAIRBXRHZCA-UHFFFAOYSA-N 0 0 481.557 3.675 20 5 JHBDRN COC(=O)NCc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC001310313329 1071294899 /nfs/dbraw/zinc/29/48/99/1071294899.db2.gz WCJDBFHFPNDNRI-MXVIHJGJSA-N 0 0 456.499 3.788 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](CO)c1ccccc1I ZINC001310435217 1071388769 /nfs/dbraw/zinc/38/87/69/1071388769.db2.gz CZHNEKXACJZFLU-CQSZACIVSA-N 0 0 455.252 3.671 20 5 JHBDRN CNC(=O)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001315036158 1071569090 /nfs/dbraw/zinc/56/90/90/1071569090.db2.gz IAJZXQXPCTVQBC-CABCVRRESA-N 0 0 454.453 3.719 20 5 JHBDRN CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001313972476 1071698198 /nfs/dbraw/zinc/69/81/98/1071698198.db2.gz VNSAQLXDKZTKCS-UHFFFAOYSA-N 0 0 453.547 3.759 20 5 JHBDRN CCNC(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)F)C2)CCC1 ZINC001313975737 1071706383 /nfs/dbraw/zinc/70/63/83/1071706383.db2.gz VKIQDLLJJBAZFB-INIZCTEOSA-N 0 0 462.501 3.641 20 5 JHBDRN CCc1ccc(-c2nnc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2CCCSC)cc1 ZINC001305945459 1068258898 /nfs/dbraw/zinc/25/88/98/1068258898.db2.gz SFYXVUHIJCJJAT-UHFFFAOYSA-N 0 0 467.599 3.890 20 5 JHBDRN CCc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC[C@H](C)c1ccc(OC)cc1 ZINC001306140624 1068541862 /nfs/dbraw/zinc/54/18/62/1068541862.db2.gz MQFNCIUSVINHSI-KRWDZBQOSA-N 0 0 453.547 3.989 20 5 JHBDRN CCc1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001306198658 1068591314 /nfs/dbraw/zinc/59/13/14/1068591314.db2.gz NJJAKNJNRFVAIR-UHFFFAOYSA-N 0 0 495.550 3.740 20 5 JHBDRN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccnc2OCC(F)F)CCO1 ZINC001306407467 1068882647 /nfs/dbraw/zinc/88/26/47/1068882647.db2.gz ZNVCOLADOXHNAH-SFHVURJKSA-N 0 0 474.468 3.556 20 5 JHBDRN CCOc1cc(N2CCN(C(=O)Nc3cn(-c4ccccc4)nc3C)CC2)ccc1[N+](=O)[O-] ZINC001310546993 1069009712 /nfs/dbraw/zinc/00/97/12/1069009712.db2.gz NELGQEFPOGEJTM-UHFFFAOYSA-N 0 0 450.499 3.842 20 5 JHBDRN Cn1cc(-c2ncccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC001310556079 1069015513 /nfs/dbraw/zinc/01/55/13/1069015513.db2.gz QNQPWMAADWCKBJ-WGSAOQKQSA-N 0 0 450.499 3.728 20 5 JHBDRN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(SC)CC2)C1 ZINC001306496852 1069043926 /nfs/dbraw/zinc/04/39/26/1069043926.db2.gz AQOQZMDFWGTLBH-QGZVFWFLSA-N 0 0 458.588 3.634 20 5 JHBDRN COCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC001310603929 1069046660 /nfs/dbraw/zinc/04/66/60/1069046660.db2.gz XMGFHBDVKRUEAY-LJQANCHMSA-N 0 0 452.511 3.932 20 5 JHBDRN COCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC001310603928 1069046919 /nfs/dbraw/zinc/04/69/19/1069046919.db2.gz XMGFHBDVKRUEAY-IBGZPJMESA-N 0 0 452.511 3.932 20 5 JHBDRN C[C@@H](NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC001310626578 1069068323 /nfs/dbraw/zinc/06/83/23/1069068323.db2.gz KKIJZDOPMOLCAD-OAHLLOKOSA-N 0 0 452.515 3.658 20 5 JHBDRN Cc1c(NC(=O)N2CCc3c(nnn3-c3ccccc3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001310659923 1069092844 /nfs/dbraw/zinc/09/28/44/1069092844.db2.gz SBIMUANYLSMIPR-UHFFFAOYSA-N 0 0 457.288 3.837 20 5 JHBDRN COC(=O)c1cc(NC(=O)NCc2cccc(OCc3ccccn3)c2)c(C)c([N+](=O)[O-])c1 ZINC001310676907 1069104636 /nfs/dbraw/zinc/10/46/36/1069104636.db2.gz FOWSZDVMDDPRKG-UHFFFAOYSA-N 0 0 450.451 3.986 20 5 JHBDRN COC(=O)c1cc(NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)c(C)c([N+](=O)[O-])c1 ZINC001310681976 1069107188 /nfs/dbraw/zinc/10/71/88/1069107188.db2.gz XJMWHRLRPALXGX-QGZVFWFLSA-N 0 0 456.480 3.905 20 5 JHBDRN O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001310697500 1069117570 /nfs/dbraw/zinc/11/75/70/1069117570.db2.gz WLTURTIYPPLTNS-UHFFFAOYSA-N 0 0 458.675 3.899 20 5 JHBDRN O=C(NCCCNc1cccc(F)c1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC001310713165 1069128506 /nfs/dbraw/zinc/12/85/06/1069128506.db2.gz NYQBSSVDPZNSJL-UHFFFAOYSA-N 0 0 458.231 3.962 20 5 JHBDRN Cc1c(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnn1Cc1ccccc1F ZINC001310724619 1069136384 /nfs/dbraw/zinc/13/63/84/1069136384.db2.gz JUFRYZUCTFJSNO-UHFFFAOYSA-N 0 0 454.462 3.757 20 5 JHBDRN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[C@H](O)C2)C1 ZINC001306520426 1069139881 /nfs/dbraw/zinc/13/98/81/1069139881.db2.gz VDCHVBSAEVIIJD-DXIQSLLYSA-N 0 0 484.601 3.537 20 5 JHBDRN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[C@@H](O)C2)C1 ZINC001306520432 1069140574 /nfs/dbraw/zinc/14/05/74/1069140574.db2.gz VDCHVBSAEVIIJD-XQBPLPMBSA-N 0 0 484.601 3.537 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001306530533 1069169773 /nfs/dbraw/zinc/16/97/73/1069169773.db2.gz WEWACMLTLNYUCN-DEOSSOPVSA-N 0 0 484.532 3.986 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001306530647 1069169812 /nfs/dbraw/zinc/16/98/12/1069169812.db2.gz DJQYZPIZUYLTCI-QHCPKHFHSA-N 0 0 453.547 3.751 20 5 JHBDRN O=C(Nc1cnn(Cc2cc(F)ccc2Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001310911483 1069219499 /nfs/dbraw/zinc/21/94/99/1069219499.db2.gz HVTFYWHRXNGCNS-UHFFFAOYSA-N 0 0 458.881 3.986 20 5 JHBDRN COc1ccc(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001311032519 1069252537 /nfs/dbraw/zinc/25/25/37/1069252537.db2.gz SNJPASLKESHRQP-ZDUSSCGKSA-N 0 0 452.389 3.545 20 5 JHBDRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000011211532 562957264 /nfs/dbraw/zinc/95/72/64/562957264.db2.gz IABOVDKJCPGFCC-OAQYLSRUSA-N 0 0 463.519 3.803 20 5 JHBDRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c2)C3)n1 ZINC001164808500 720064146 /nfs/dbraw/zinc/06/41/46/720064146.db2.gz HTTPFMJIKHPOBQ-QRWLVFNGSA-N 0 0 477.855 3.951 20 5 JHBDRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]2C)C1=O ZINC001164777950 721322915 /nfs/dbraw/zinc/32/29/15/721322915.db2.gz NTMQCXMZTIQODM-RBZFPXEDSA-N 0 0 465.888 3.945 20 5 JHBDRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)O1 ZINC001164886683 721460115 /nfs/dbraw/zinc/46/01/15/721460115.db2.gz IGWYBSYJYSAMRI-FHWLQOOXSA-N 0 0 493.898 3.513 20 5 JHBDRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164896003 721474631 /nfs/dbraw/zinc/47/46/31/721474631.db2.gz TXYDBFHSPUNJLR-LJQANCHMSA-N 0 0 451.861 3.745 20 5 JHBDRN Cc1ccc(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)cc1[N+](=O)[O-] ZINC001164808819 721569580 /nfs/dbraw/zinc/56/95/80/721569580.db2.gz VVEARVPNCGGRFN-UMXIMWEHSA-N 0 0 460.538 3.623 20 5 JHBDRN CSc1nc(Cl)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910132 721756161 /nfs/dbraw/zinc/75/61/61/721756161.db2.gz NUVNRMFYEPBDEV-UHFFFAOYSA-N 0 0 460.947 3.943 20 5 JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)c(Cl)nn2)c1 ZINC001165014714 721764479 /nfs/dbraw/zinc/76/44/79/721764479.db2.gz HWTGKNFUVMOBLL-IPELMVKDSA-N 0 0 466.872 3.880 20 5 JHBDRN Clc1ccc2ccc3ccc(N4CCO[C@@]5(C4)COCCN(Cc4cccnc4)C5)nc3c2n1 ZINC001164914931 721783758 /nfs/dbraw/zinc/78/37/58/721783758.db2.gz IGOZVCXAKITPQG-SANMLTNESA-N 0 0 475.980 3.939 20 5 JHBDRN O=C1[C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165021949 721793296 /nfs/dbraw/zinc/79/32/96/721793296.db2.gz NTOKKRAEYUWPGF-WMLDXEAASA-N 0 0 486.866 3.744 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1Cl ZINC001164919263 721809526 /nfs/dbraw/zinc/80/95/26/721809526.db2.gz XKZRMEZLXMYYGH-HWWQOWPSSA-N 0 0 460.890 3.845 20 5 JHBDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC001164944742 721964774 /nfs/dbraw/zinc/96/47/74/721964774.db2.gz JECRSOAEFUSULE-QUCCMNQESA-N 0 0 450.873 3.957 20 5 JHBDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC001164944745 721964802 /nfs/dbraw/zinc/96/48/02/721964802.db2.gz JECRSOAEFUSULE-UYAOXDASSA-N 0 0 450.873 3.957 20 5 JHBDRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(-c5cccc([N+](=O)[O-])c5)nnc4Cl)C[C@H]3O2)n1 ZINC001164959573 722042986 /nfs/dbraw/zinc/04/29/86/722042986.db2.gz IFESVLDDUUHXSV-DHSIGJKJSA-N 0 0 492.870 3.778 20 5 JHBDRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001164986576 722097288 /nfs/dbraw/zinc/09/72/88/722097288.db2.gz ZIDVEWWVLSKEPO-YQQAZPJKSA-N 0 0 451.861 3.734 20 5 JHBDRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC[C@H]32)cs1 ZINC001164991611 722179326 /nfs/dbraw/zinc/17/93/26/722179326.db2.gz YLHMWUYOGOPYGI-IAGOWNOFSA-N 0 0 473.933 3.823 20 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CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)[C@H]2C1 ZINC001164995298 722217015 /nfs/dbraw/zinc/21/70/15/722217015.db2.gz IBCDQMHNOHFBDJ-ZOCIIQOWSA-N 0 0 495.914 3.759 20 5 JHBDRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164995328 722217174 /nfs/dbraw/zinc/21/71/74/722217174.db2.gz IEYZNVZSVHQWNV-BKTGTZMESA-N 0 0 495.914 3.759 20 5 JHBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)C2 ZINC001165007014 722269742 /nfs/dbraw/zinc/26/97/42/722269742.db2.gz SZRVVHUWOIPUJS-XMMPIXPASA-N 0 0 496.930 3.772 20 5 JHBDRN C[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007965 722273946 /nfs/dbraw/zinc/27/39/46/722273946.db2.gz HRODLQWPYQEORH-OWDMVUQNSA-N 0 0 481.887 3.986 20 5 JHBDRN Cc1cc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc([N+](=O)[O-])c1 ZINC001311319729 1069323343 /nfs/dbraw/zinc/32/33/43/1069323343.db2.gz CEDQHGZWNFPMKN-CQSZACIVSA-N 0 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O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(I)c(O)c1 ZINC001306865915 1069666202 /nfs/dbraw/zinc/66/62/02/1069666202.db2.gz RJQBUIHIJPCIMW-UHFFFAOYSA-N 0 0 450.192 3.547 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC001306944400 1069687387 /nfs/dbraw/zinc/68/73/87/1069687387.db2.gz LEJPIXWHPXWQBF-UHFFFAOYSA-N 0 0 452.294 3.580 20 5 JHBDRN CCC(C)(C)C1CCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC001306924577 1069684008 /nfs/dbraw/zinc/68/40/08/1069684008.db2.gz GHADUBWVYFYUMA-UHFFFAOYSA-N 0 0 452.621 3.938 20 5 JHBDRN CCOc1ccc(C[C@H](CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C(=O)OC)cc1 ZINC001306953108 1069688292 /nfs/dbraw/zinc/68/82/92/1069688292.db2.gz LVTKLBSENYOYCJ-LJQANCHMSA-N 0 0 450.495 3.625 20 5 JHBDRN CNS(=O)(=O)c1cccc([C@@H](C)Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])c1 ZINC001306957041 1069689211 /nfs/dbraw/zinc/68/92/11/1069689211.db2.gz QZQHJWFNHKPGDH-SECBINFHSA-N 0 0 454.377 3.725 20 5 JHBDRN CO[C@@H](CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1ccc(F)cc1 ZINC001312093575 1069716714 /nfs/dbraw/zinc/71/67/14/1069716714.db2.gz QSMQIGMQLWCZNA-SFHVURJKSA-N 0 0 452.280 3.952 20 5 JHBDRN CCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001307015238 1069722167 /nfs/dbraw/zinc/72/21/67/1069722167.db2.gz RDRXCKNDTKRMFU-SFHVURJKSA-N 0 0 481.557 3.857 20 5 JHBDRN CCCn1c(-c2cccc(Br)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001307016590 1069724464 /nfs/dbraw/zinc/72/44/64/1069724464.db2.gz NZWSIJLFJBROBW-UHFFFAOYSA-N 0 0 472.347 3.747 20 5 JHBDRN Cc1ccc([C@@H](C)NC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001312122124 1069732258 /nfs/dbraw/zinc/73/22/58/1069732258.db2.gz MSGZDYSCXNTQMO-OAHLLOKOSA-N 0 0 453.524 3.850 20 5 JHBDRN Cc1ccc([C@H](C)NC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC001312122123 1069732424 /nfs/dbraw/zinc/73/24/24/1069732424.db2.gz MSGZDYSCXNTQMO-HNNXBMFYSA-N 0 0 453.524 3.850 20 5 JHBDRN 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001310655585 1069089421 /nfs/dbraw/zinc/08/94/21/1069089421.db2.gz OTRUBESXKJRTSA-UHFFFAOYSA-N 0 0 452.508 3.531 20 5 JHBDRN CCc1ccc([C@H](COC)NC(=O)Nc2ccc([N+](=O)[O-])c(I)c2)o1 ZINC001310713303 1069128558 /nfs/dbraw/zinc/12/85/58/1069128558.db2.gz PEPJLCMFHNKUOR-ZDUSSCGKSA-N 0 0 459.240 3.864 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001306526760 1069156449 /nfs/dbraw/zinc/15/64/49/1069156449.db2.gz IBFPAHHNMXVVLG-NFBKMPQASA-N 0 0 453.547 3.751 20 5 JHBDRN Cc1nccn1-c1ccc(CNC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cn1 ZINC001310875843 1069203209 /nfs/dbraw/zinc/20/32/09/1069203209.db2.gz CAGBKVVOWHNKKT-QGZVFWFLSA-N 0 0 452.368 3.726 20 5 JHBDRN O=C(Nc1ncc(-c2ccccc2F)s1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001310952787 1069232807 /nfs/dbraw/zinc/23/28/07/1069232807.db2.gz JFMHDEWMMVTSHO-UHFFFAOYSA-N 0 0 455.471 3.847 20 5 JHBDRN CSc1cc(Cl)ccc1NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001310982098 1069239746 /nfs/dbraw/zinc/23/97/46/1069239746.db2.gz DCDGZFUHMDKGSF-UHFFFAOYSA-N 0 0 458.949 3.607 20 5 JHBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1ccccc1[C@@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC001311064292 1069262418 /nfs/dbraw/zinc/26/24/18/1069262418.db2.gz OEDQUQLGPDMLAJ-OALUTQOASA-N 0 0 454.483 3.750 20 5 JHBDRN Cc1cccc(CN2C(=O)COC3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC3)[C@@H]2C)n1 ZINC001164429350 718950414 /nfs/dbraw/zinc/95/04/14/718950414.db2.gz OBUJJOWSFIPHDN-HNNXBMFYSA-N 0 0 495.914 3.678 20 5 JHBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164658595 719351338 /nfs/dbraw/zinc/35/13/38/719351338.db2.gz KEMNXXSHWGEXAW-UHFFFAOYSA-N 0 0 468.945 3.576 20 5 JHBDRN CCOC(=O)c1ccnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)c1[N+](=O)[O-] ZINC001164660615 719355252 /nfs/dbraw/zinc/35/52/52/719355252.db2.gz WANPNBFSOZLABF-UHFFFAOYSA-N 0 0 490.564 3.861 20 5 JHBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164673106 719496823 /nfs/dbraw/zinc/49/68/23/719496823.db2.gz NYKGFFREVUEYJT-UHFFFAOYSA-N 0 0 467.954 3.771 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164849894 720772063 /nfs/dbraw/zinc/77/20/63/720772063.db2.gz UNMBNSLTGXDJGW-VYDXJSESSA-N 0 0 454.861 3.926 20 5 JHBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001164851723 720805518 /nfs/dbraw/zinc/80/55/18/720805518.db2.gz ZGAMTPVVMXXANX-VAMGGRTRSA-N 0 0 492.910 3.975 20 5 JHBDRN O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1)c1ccccc1 ZINC001164860036 720897369 /nfs/dbraw/zinc/89/73/69/720897369.db2.gz RYIIRFQQINVSBP-UZLBHIALSA-N 0 0 466.872 3.746 20 5 JHBDRN CN1C[C@H](COCC2CC2)[C@@H]2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]2C1=O ZINC001164861744 721025250 /nfs/dbraw/zinc/02/52/50/721025250.db2.gz PHMDGEBGEHAUPT-HYVNUMGLSA-N 0 0 472.920 3.536 20 5 JHBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC001164764733 721028000 /nfs/dbraw/zinc/02/80/00/721028000.db2.gz NUZJCXZQKQKYBT-VQIMIIECSA-N 0 0 454.861 3.928 20 5 JHBDRN O=C(c1ccsc1)N1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]2C1 ZINC001164877968 721296074 /nfs/dbraw/zinc/29/60/74/721296074.db2.gz QGORLIBYHKHRBT-SWLSCSKDSA-N 0 0 472.901 3.617 20 5 JHBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164778178 721348293 /nfs/dbraw/zinc/34/82/93/721348293.db2.gz JZFURWIYSROBEO-DEOSSOPVSA-N 0 0 451.527 3.867 20 5 JHBDRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)O1 ZINC001164888003 721460111 /nfs/dbraw/zinc/46/01/11/721460111.db2.gz LLJZQPJVCJBJMV-QYZOEREBSA-N 0 0 493.898 3.513 20 5 JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)c(Cl)nn2)c1 ZINC001165014718 721764848 /nfs/dbraw/zinc/76/48/48/721764848.db2.gz HWTGKNFUVMOBLL-MNEFBYGVSA-N 0 0 466.872 3.880 20 5 JHBDRN Cc1nc(CN2CCOC[C@@]3(CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)CCO3)C2)cs1 ZINC001164920094 721829397 /nfs/dbraw/zinc/82/93/97/721829397.db2.gz AGSKJZMIYIDXIL-QFIPXVFZSA-N 0 0 489.985 3.669 20 5 JHBDRN Cc1nc(CN2CCOC[C@@]3(CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])CCO3)C2)cs1 ZINC001164927744 721834125 /nfs/dbraw/zinc/83/41/25/721834125.db2.gz VNAOWGXTNFQOSM-QFIPXVFZSA-N 0 0 489.985 3.669 20 5 JHBDRN COc1cccc(OC)c1CN1CCC(N(C)c2nc(SC)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165023453 721838677 /nfs/dbraw/zinc/83/86/77/721838677.db2.gz YEFOZFFWCFLYFQ-UHFFFAOYSA-N 0 0 467.979 3.878 20 5 JHBDRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5cccc([N+](=O)[O-])c5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164959575 722043078 /nfs/dbraw/zinc/04/30/78/722043078.db2.gz IFESVLDDUUHXSV-XUWXXGDYSA-N 0 0 492.870 3.778 20 5 JHBDRN O=C1C[C@@]2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)CN1c1ccc2c(c1)OCO2 ZINC001165000336 722219365 /nfs/dbraw/zinc/21/93/65/722219365.db2.gz WNUBHZXEFANIPX-LJQANCHMSA-N 0 0 466.828 3.550 20 5 JHBDRN Cc1c(NC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311258744 1069310406 /nfs/dbraw/zinc/31/04/06/1069310406.db2.gz PIOBYRVGJLKJOS-SNVBAGLBSA-N 0 0 456.343 3.844 20 5 JHBDRN Cc1cccc([C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)N2CCOCC2)c1 ZINC001311389760 1069357435 /nfs/dbraw/zinc/35/74/35/1069357435.db2.gz AHFPCIKEHYBUQC-LADGPHEKSA-N 0 0 452.555 3.866 20 5 JHBDRN CCCCCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)on2)CC1 ZINC001306657905 1069372339 /nfs/dbraw/zinc/37/23/39/1069372339.db2.gz KFCDXJFGBMRWSX-UHFFFAOYSA-N 0 0 481.557 3.721 20 5 JHBDRN CC1(C)CN(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC001311548663 1069434134 /nfs/dbraw/zinc/43/41/34/1069434134.db2.gz PRRVHBQUXJICTQ-CYBMUJFWSA-N 0 0 458.359 3.777 20 5 JHBDRN CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001306702082 1069438028 /nfs/dbraw/zinc/43/80/28/1069438028.db2.gz AWGSMFWZVFJXPX-UHFFFAOYSA-N 0 0 455.519 3.709 20 5 JHBDRN COc1cc(CCNC(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])cc1OC ZINC001311593393 1069455287 /nfs/dbraw/zinc/45/52/87/1069455287.db2.gz DDIJJAWOUWOGGL-FQEVSTJZSA-N 0 0 456.543 3.773 20 5 JHBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001311661616 1069492292 /nfs/dbraw/zinc/49/22/92/1069492292.db2.gz ZVZJSGHVKCIHHN-AEFFLSMTSA-N 0 0 456.465 3.502 20 5 JHBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC001306867620 1069666871 /nfs/dbraw/zinc/66/68/71/1069666871.db2.gz OSFLYLDJZOBBNQ-CYBMUJFWSA-N 0 0 457.911 3.883 20 5 JHBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCN1CCN(c2ccccc2Cl)CC1 ZINC001306943486 1069687659 /nfs/dbraw/zinc/68/76/59/1069687659.db2.gz KDYINQOKECWYHW-UHFFFAOYSA-N 0 0 457.962 3.765 20 5 JHBDRN Cc1c(Br)c(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC001306934268 1069686229 /nfs/dbraw/zinc/68/62/29/1069686229.db2.gz HIDIZZSFNDMDGO-UHFFFAOYSA-N 0 0 451.296 3.733 20 5 JHBDRN COC(=O)c1cc(C)nc(N[C@@H](C)c2cc3c(cc2Br)OCCO3)c1[N+](=O)[O-] ZINC001306949574 1069688361 /nfs/dbraw/zinc/68/83/61/1069688361.db2.gz MTKLWVBHPBFFRF-JTQLQIEISA-N 0 0 452.261 3.792 20 5 JHBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001306967781 1069691114 /nfs/dbraw/zinc/69/11/14/1069691114.db2.gz FMTFOUFFJNBPGT-NSHDSACASA-N 0 0 453.439 3.700 20 5 JHBDRN CNS(=O)(=O)c1ccc(N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c([N+](=O)[O-])c1 ZINC001306974754 1069691895 /nfs/dbraw/zinc/69/18/95/1069691895.db2.gz KAPULPBQDDHWDQ-CQSZACIVSA-N 0 0 453.948 3.624 20 5 JHBDRN Cc1ccn(-c2ccccc2CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 ZINC001306998626 1069696833 /nfs/dbraw/zinc/69/68/33/1069696833.db2.gz CEPSUKXBBNOBSV-UHFFFAOYSA-N 0 0 455.540 3.876 20 5 JHBDRN O=C(NCCN1CCCC1=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001312050189 1069693196 /nfs/dbraw/zinc/69/31/96/1069693196.db2.gz POWYVVSIVHAZOZ-UHFFFAOYSA-N 0 0 450.854 3.601 20 5 JHBDRN CC[C@@H](Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F ZINC001306984535 1069693474 /nfs/dbraw/zinc/69/34/74/1069693474.db2.gz IHPBPACWTJHNAF-UZLBHIALSA-N 0 0 457.499 3.828 20 5 JHBDRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001312151329 1069749946 /nfs/dbraw/zinc/74/99/46/1069749946.db2.gz AIAOXZDPTUGTQP-UHFFFAOYSA-N 0 0 456.518 3.795 20 5 JHBDRN O=C(c1ccccc1)c1ccc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307076853 1069887356 /nfs/dbraw/zinc/88/73/56/1069887356.db2.gz IBKPCXXGLDPPJB-FQEVSTJZSA-N 0 0 457.552 3.657 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001307085444 1069887963 /nfs/dbraw/zinc/88/79/63/1069887963.db2.gz GYUTXRHLOMKBFG-UHFFFAOYSA-N 0 0 455.540 3.699 20 5 JHBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCNc1cccc(Br)c1 ZINC001307083718 1069888231 /nfs/dbraw/zinc/88/82/31/1069888231.db2.gz LHAUJNFGKBZMJE-UHFFFAOYSA-N 0 0 450.261 3.878 20 5 JHBDRN C[C@H]1CCCc2ccccc2[C@@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001307087873 1069889038 /nfs/dbraw/zinc/88/90/38/1069889038.db2.gz DCTBKWDMWBHGAO-GAJHUEQPSA-N 0 0 458.584 3.657 20 5 JHBDRN CC1CCC(NS(=O)(=O)c2ccc(NCC3(CO)CC4(CCC4)C3)c([N+](=O)[O-])c2)CC1 ZINC001307107832 1069892382 /nfs/dbraw/zinc/89/23/82/1069892382.db2.gz FVZFHBOUNCTLKZ-UHFFFAOYSA-N 0 0 451.589 3.807 20 5 JHBDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(O)(c3ccccc3C(F)(F)F)CC2)s1 ZINC001307111276 1069892997 /nfs/dbraw/zinc/89/29/97/1069892997.db2.gz MOBMFWGTTYYMSW-UHFFFAOYSA-N 0 0 450.460 3.567 20 5 JHBDRN CC1CCC(NS(=O)(=O)c2ccc(NCCCO[C@@H]3CCCCO3)c([N+](=O)[O-])c2)CC1 ZINC001307113487 1069893841 /nfs/dbraw/zinc/89/38/41/1069893841.db2.gz JODOTWQXZTZQDS-MYKUNDNFSA-N 0 0 455.577 3.797 20 5 JHBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2nc(C(F)F)no2)c([N+](=O)[O-])c1 ZINC001307148062 1069900683 /nfs/dbraw/zinc/90/06/83/1069900683.db2.gz WZLHMICTDIDKSE-UHFFFAOYSA-N 0 0 453.427 3.743 20 5 JHBDRN Cc1ccc(C[C@@]2(C)CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC001307176813 1069903735 /nfs/dbraw/zinc/90/37/35/1069903735.db2.gz JGGXKMWIXXVZLQ-HSZRJFAPSA-N 0 0 459.568 3.526 20 5 JHBDRN O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCCc1nc(Cc2ccccc2)no1 ZINC001307229385 1069909273 /nfs/dbraw/zinc/90/92/73/1069909273.db2.gz ALLGFXIOCLJILA-UHFFFAOYSA-N 0 0 454.284 3.956 20 5 JHBDRN Cn1ccnc1C(=O)c1ccc(N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c1 ZINC001307231431 1069909455 /nfs/dbraw/zinc/90/94/55/1069909455.db2.gz NCXCVKNYZMNNFI-MBSDFSHPSA-N 0 0 455.515 3.903 20 5 JHBDRN CC(C)Cc1ncnc(Oc2cc3c(cc2[N+](=O)[O-])OCCO3)c1I ZINC001307231447 1069909469 /nfs/dbraw/zinc/90/94/69/1069909469.db2.gz NJAKHRSDPCZBTB-UHFFFAOYSA-N 0 0 457.224 3.751 20 5 JHBDRN O=[N+]([O-])c1cc(Cn2nnnc2Cc2ccc(Br)cc2)ccc1Br ZINC001307306185 1069935366 /nfs/dbraw/zinc/93/53/66/1069935366.db2.gz ZEOOLVJJKDDXQS-UHFFFAOYSA-N 0 0 453.094 3.745 20 5 JHBDRN O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Nc1ccc(I)cc1 ZINC001307324635 1069947733 /nfs/dbraw/zinc/94/77/33/1069947733.db2.gz LBBMCYHRSCPOSI-UHFFFAOYSA-N 0 0 456.627 3.841 20 5 JHBDRN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1Cc1cc(Cl)ccc1I ZINC001307340577 1069955612 /nfs/dbraw/zinc/95/56/12/1069955612.db2.gz WRDNYZIGEDMVGL-UHFFFAOYSA-N 0 0 457.611 3.718 20 5 JHBDRN CN(C)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2Br)c(=O)cc1-c1ccccc1 ZINC001307370169 1069962759 /nfs/dbraw/zinc/96/27/59/1069962759.db2.gz NBCJOAZBIHMZNI-UHFFFAOYSA-N 0 0 456.296 3.936 20 5 JHBDRN CCOC(=O)c1cc(CC)sc1NC(=O)COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC001307366297 1069962194 /nfs/dbraw/zinc/96/21/94/1069962194.db2.gz RRPRKTPBSCBFDB-UHFFFAOYSA-N 0 0 450.366 3.969 20 5 JHBDRN CCOC(=O)CCc1c(C)nc(SCc2cc([N+](=O)[O-])ccc2Br)[nH]c1=O ZINC001307390267 1069967012 /nfs/dbraw/zinc/96/70/12/1069967012.db2.gz SIQYMCFPSAFQBL-UHFFFAOYSA-N 0 0 456.318 3.949 20 5 JHBDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001307454402 1069994457 /nfs/dbraw/zinc/99/44/57/1069994457.db2.gz SZRXQSPLYCJGIW-AWEZNQCLSA-N 0 0 457.474 3.900 20 5 JHBDRN COc1ccc(C2=NO[C@H](CNC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)C2)cc1F ZINC001312571875 1070021014 /nfs/dbraw/zinc/02/10/14/1070021014.db2.gz ONEQEGQOFOHPLN-HKUYNNGSSA-N 0 0 456.474 3.825 20 5 JHBDRN COc1cc(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC001307524225 1070032725 /nfs/dbraw/zinc/03/27/25/1070032725.db2.gz IFSAVSMTXLSBMI-PKOBYXMFSA-N 0 0 452.454 3.572 20 5 JHBDRN COCCOc1ccccc1N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001307556304 1070050857 /nfs/dbraw/zinc/05/08/57/1070050857.db2.gz AGVLNAWWGJCGEK-UHFFFAOYSA-N 0 0 450.333 3.705 20 5 JHBDRN CC(C)n1cnnc1[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001307597896 1070073109 /nfs/dbraw/zinc/07/31/09/1070073109.db2.gz RIBLKQXPNNBVJI-CQSZACIVSA-N 0 0 455.300 3.751 20 5 JHBDRN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC001312724864 1070095137 /nfs/dbraw/zinc/09/51/37/1070095137.db2.gz UAHDHJVRZGIKCC-KXBFYZLASA-N 0 0 458.481 3.896 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 ZINC001307671499 1070115302 /nfs/dbraw/zinc/11/53/02/1070115302.db2.gz FOTQXCPTMMJLLP-QFIPXVFZSA-N 0 0 450.495 3.757 20 5 JHBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 ZINC001307721272 1070146090 /nfs/dbraw/zinc/14/60/90/1070146090.db2.gz HYSCPRPSJYDLGV-IBGZPJMESA-N 0 0 455.515 3.531 20 5 JHBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCC[C@H](N2CCOCC2)C1 ZINC001307781258 1070179606 /nfs/dbraw/zinc/17/96/06/1070179606.db2.gz DQGFQCGWTSBALD-SIKLNZKXSA-N 0 0 458.946 3.725 20 5 JHBDRN O=[N+]([O-])c1cc(I)cc(CN2CCN(c3c(F)cccc3F)CC2)c1 ZINC001307873207 1070218880 /nfs/dbraw/zinc/21/88/80/1070218880.db2.gz CJXNIBPCOJSKDD-UHFFFAOYSA-N 0 0 459.234 3.800 20 5 JHBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001307900071 1070231842 /nfs/dbraw/zinc/23/18/42/1070231842.db2.gz IYAAWCODQNSGJY-MAUKXSAKSA-N 0 0 450.536 3.557 20 5 JHBDRN CCOCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001314389661 1070241833 /nfs/dbraw/zinc/24/18/33/1070241833.db2.gz IVZCTKVRWUUAFU-CVDCTZTESA-N 0 0 486.617 3.891 20 5 JHBDRN C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001308050751 1070293091 /nfs/dbraw/zinc/29/30/91/1070293091.db2.gz YCFOZMHUERULOB-CQSZACIVSA-N 0 0 452.433 3.740 20 5 JHBDRN CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001313215597 1070295047 /nfs/dbraw/zinc/29/50/47/1070295047.db2.gz YSGLGFJRBBPFKT-UHFFFAOYSA-N 0 0 459.341 3.850 20 5 JHBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H](Nc2ncccn2)C1 ZINC001308142144 1070327444 /nfs/dbraw/zinc/32/74/44/1070327444.db2.gz TXHMWGBKYRCNQR-XLIONFOSSA-N 0 0 452.902 3.904 20 5 JHBDRN O=C(NCC[C@H]1CCC2(CCC2)O1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001313334096 1070329298 /nfs/dbraw/zinc/32/92/98/1070329298.db2.gz DJDPBYIOFCEZHK-MRXNPFEDSA-N 0 0 456.465 3.937 20 5 JHBDRN CCOCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001314451302 1070348986 /nfs/dbraw/zinc/34/89/86/1070348986.db2.gz AJCQZIHFZNAFOJ-UHFFFAOYSA-N 0 0 454.531 3.898 20 5 JHBDRN CCOC(=O)COc1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC001308676330 1070415850 /nfs/dbraw/zinc/41/58/50/1070415850.db2.gz GQDSCQVMLVNUTJ-UHFFFAOYSA-N 0 0 456.236 3.753 20 5 JHBDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC001308726878 1070426683 /nfs/dbraw/zinc/42/66/83/1070426683.db2.gz NQUHCZVESTZMGE-JTQLQIEISA-N 0 0 456.318 3.712 20 5 JHBDRN CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001308997475 1070475276 /nfs/dbraw/zinc/47/52/76/1070475276.db2.gz QDPRKNAJWFTCAD-UHFFFAOYSA-N 0 0 458.286 3.953 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC001309001954 1070477547 /nfs/dbraw/zinc/47/75/47/1070477547.db2.gz VFKYQFLAFKYUJL-UHFFFAOYSA-N 0 0 450.650 3.565 20 5 JHBDRN C[C@H](CS(=O)(=O)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001309009651 1070481089 /nfs/dbraw/zinc/48/10/89/1070481089.db2.gz UJEGSLDQNVNMCC-CYBMUJFWSA-N 0 0 458.945 3.819 20 5 JHBDRN COc1ccc([C@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC001309012349 1070483325 /nfs/dbraw/zinc/48/33/25/1070483325.db2.gz ZZAONBRLFHNEQP-FQEVSTJZSA-N 0 0 453.948 3.681 20 5 JHBDRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC001309043969 1070503878 /nfs/dbraw/zinc/50/38/78/1070503878.db2.gz RWACBAPVPQWMKB-UHFFFAOYSA-N 0 0 458.414 3.754 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1F ZINC001309053519 1070510211 /nfs/dbraw/zinc/51/02/11/1070510211.db2.gz PERLKBZEDNTOIV-KRWDZBQOSA-N 0 0 459.902 3.950 20 5 JHBDRN CC[C@@H](C)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001309061794 1070515862 /nfs/dbraw/zinc/51/58/62/1070515862.db2.gz MCLKZOOXCSFROD-GFCCVEGCSA-N 0 0 459.446 3.620 20 5 JHBDRN Cc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC001309158981 1070576218 /nfs/dbraw/zinc/57/62/18/1070576218.db2.gz AJYZKOGJVMTLHT-INIZCTEOSA-N 0 0 455.945 3.567 20 5 JHBDRN COC(=O)[C@@H](CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC001309178038 1070587031 /nfs/dbraw/zinc/58/70/31/1070587031.db2.gz SRXFVPDZHREQNY-LJQANCHMSA-N 0 0 456.520 3.675 20 5 JHBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1C ZINC001309178145 1070587041 /nfs/dbraw/zinc/58/70/41/1070587041.db2.gz DXTLZGGIKKFSPG-QGZVFWFLSA-N 0 0 455.939 3.947 20 5 JHBDRN COC(=O)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)Cc1cccc2ccccc21 ZINC001309178312 1070587543 /nfs/dbraw/zinc/58/75/43/1070587543.db2.gz YQXJXRRRGGZMFU-LJQANCHMSA-N 0 0 456.520 3.675 20 5 JHBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)c3ccccc32)c2ncccc12 ZINC001309263957 1070654668 /nfs/dbraw/zinc/65/46/68/1070654668.db2.gz RBJUQSXNMNGGGF-UHFFFAOYSA-N 0 0 452.414 3.721 20 5 JHBDRN CCCC[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001309296151 1070678836 /nfs/dbraw/zinc/67/88/36/1070678836.db2.gz HMOKAONUSAMIDR-NSHDSACASA-N 0 0 453.920 3.749 20 5 JHBDRN CCCOc1cccc(CCNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC001309327298 1070701381 /nfs/dbraw/zinc/70/13/81/1070701381.db2.gz AAGCTCJBVVWYIY-UHFFFAOYSA-N 0 0 457.346 3.976 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1Br ZINC001309336852 1070707197 /nfs/dbraw/zinc/70/71/97/1070707197.db2.gz CIMOWVLPEIMBLY-LLVKDONJSA-N 0 0 457.302 3.526 20 5 JHBDRN CCSCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001314621449 1070701300 /nfs/dbraw/zinc/70/13/00/1070701300.db2.gz NWGJZSIIZRSGCC-SFHVURJKSA-N 0 0 460.604 3.550 20 5 JHBDRN Cc1cc(S(=O)(=O)N2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c(C)cc1[N+](=O)[O-] ZINC001309353785 1070716549 /nfs/dbraw/zinc/71/65/49/1070716549.db2.gz WVQXFCXBQKKRAK-UHFFFAOYSA-N 0 0 453.561 3.623 20 5 JHBDRN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1Cl ZINC001309408380 1070751391 /nfs/dbraw/zinc/75/13/91/1070751391.db2.gz NTFYIQPQJMMLJX-SDBXPKJASA-N 0 0 451.250 3.664 20 5 JHBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC(=Cc3ccc(F)c(F)c3)CC1)OCCO2 ZINC001309427348 1070763691 /nfs/dbraw/zinc/76/36/91/1070763691.db2.gz MAIAHWIAHVRBFK-UHFFFAOYSA-N 0 0 452.435 3.512 20 5 JHBDRN O=[N+]([O-])c1ccccc1CCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001309458282 1070782291 /nfs/dbraw/zinc/78/22/91/1070782291.db2.gz KIQFXHYLTFAELA-UHFFFAOYSA-N 0 0 453.236 3.897 20 5 JHBDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001309466936 1070788072 /nfs/dbraw/zinc/78/80/72/1070788072.db2.gz DROLVGYUOASWSI-UHFFFAOYSA-N 0 0 452.794 3.532 20 5 JHBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC001309473498 1070792707 /nfs/dbraw/zinc/79/27/07/1070792707.db2.gz YNGBTPGZWLTYTH-AWEZNQCLSA-N 0 0 458.323 3.684 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001309463562 1070785756 /nfs/dbraw/zinc/78/57/56/1070785756.db2.gz NFXCJEFSVCQBBZ-MRXNPFEDSA-N 0 0 454.346 3.931 20 5 JHBDRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001309480131 1070796952 /nfs/dbraw/zinc/79/69/52/1070796952.db2.gz CKDKWISKWLPJQH-LSDHHAIUSA-N 0 0 459.952 3.660 20 5 JHBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1[N+](=O)[O-] ZINC001309492589 1070807808 /nfs/dbraw/zinc/80/78/08/1070807808.db2.gz RZSNNHKAMBRMJQ-OLZOCXBDSA-N 0 0 458.161 3.870 20 5 JHBDRN COc1cc(S(=O)(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)ccc1[N+](=O)[O-] ZINC001309521826 1070826153 /nfs/dbraw/zinc/82/61/53/1070826153.db2.gz UCHGZFWKVMZGCY-UHFFFAOYSA-N 0 0 451.448 3.647 20 5 JHBDRN CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC12CCC2 ZINC001309531823 1070832462 /nfs/dbraw/zinc/83/24/62/1070832462.db2.gz KEQGPEMRFVCNNN-CYBMUJFWSA-N 0 0 459.952 3.849 20 5 JHBDRN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC001309533506 1070834645 /nfs/dbraw/zinc/83/46/45/1070834645.db2.gz UCGOPMHYORLIGY-INIZCTEOSA-N 0 0 453.561 3.812 20 5 JHBDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313654674 1070839794 /nfs/dbraw/zinc/83/97/94/1070839794.db2.gz MRRFTQPYRQCJTL-AZUAARDMSA-N 0 0 469.590 3.873 20 5 JHBDRN CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(F)cc1 ZINC001309567704 1070862200 /nfs/dbraw/zinc/86/22/00/1070862200.db2.gz SHDWMPVUEORGQA-VQTJNVASSA-N 0 0 479.530 3.805 20 5 JHBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)cc1F ZINC001309639283 1070896178 /nfs/dbraw/zinc/89/61/78/1070896178.db2.gz PTXNYCGFHXOTPT-DOTOQJQBSA-N 0 0 450.488 3.891 20 5 JHBDRN COC(=O)c1ccc2c(c1)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)CCC2 ZINC001309665297 1070910944 /nfs/dbraw/zinc/91/09/44/1070910944.db2.gz UTVIVFPKUBMPPO-OAHLLOKOSA-N 0 0 452.916 3.742 20 5 JHBDRN Cc1cc(S(=O)(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c([N+](=O)[O-])s1 ZINC001309734391 1070945263 /nfs/dbraw/zinc/94/52/63/1070945263.db2.gz UZHJYHNLHUPMJL-YUELXQCFSA-N 0 0 459.590 3.667 20 5 JHBDRN Cc1c(Cl)cc(S(=O)(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001309745033 1070949794 /nfs/dbraw/zinc/94/97/94/1070949794.db2.gz HFUSQKCTPDDVSD-UHFFFAOYSA-N 0 0 459.952 3.767 20 5 JHBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC001309752032 1070953155 /nfs/dbraw/zinc/95/31/55/1070953155.db2.gz DOOGTTPSAHKKRZ-IBGZPJMESA-N 0 0 452.488 3.744 20 5 JHBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001309799529 1070973681 /nfs/dbraw/zinc/97/36/81/1070973681.db2.gz GKYGYVBORJWKSH-INIZCTEOSA-N 0 0 452.916 3.992 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCO2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001314749146 1070999004 /nfs/dbraw/zinc/99/90/04/1070999004.db2.gz HQHKNHKSYAAWGW-HXUWFJFHSA-N 0 0 486.573 3.931 20 5 JHBDRN CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001314749199 1070999778 /nfs/dbraw/zinc/99/97/78/1070999778.db2.gz IAZKSAYCJORDLI-UHFFFAOYSA-N 0 0 489.458 3.521 20 5 JHBDRN CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccccn1 ZINC001314762007 1071018953 /nfs/dbraw/zinc/01/89/53/1071018953.db2.gz CFXIHQNJJWDWCW-UHFFFAOYSA-N 0 0 486.458 3.880 20 5 JHBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001309965811 1071030639 /nfs/dbraw/zinc/03/06/39/1071030639.db2.gz AADHDJGZFQISMR-IERDGZPVSA-N 0 0 453.561 3.609 20 5 JHBDRN CCN(Cc1cnn(C)c1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1nccs1 ZINC001313750881 1071084073 /nfs/dbraw/zinc/08/40/73/1071084073.db2.gz VOVSHQWHPQSQCG-UHFFFAOYSA-N 0 0 452.544 3.703 20 5 JHBDRN CN(C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2cn[nH]c2)C1)C(=O)OC(C)(C)C ZINC001314811946 1071107200 /nfs/dbraw/zinc/10/72/00/1071107200.db2.gz QFHNMXBOJVLNTL-SFHVURJKSA-N 0 0 496.572 3.512 20 5 JHBDRN Cc1ccc([C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC001310160120 1071165594 /nfs/dbraw/zinc/16/55/94/1071165594.db2.gz QLSVTXHGQIRDQH-SJKOYZFVSA-N 0 0 457.455 3.801 20 5 JHBDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCOC2)n1CCCC1CCOCC1 ZINC001314832574 1071167049 /nfs/dbraw/zinc/16/70/49/1071167049.db2.gz FJGCBIBFXQVKCG-NRFANRHFSA-N 0 0 457.575 3.966 20 5 JHBDRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)s1 ZINC001310159558 1071164256 /nfs/dbraw/zinc/16/42/56/1071164256.db2.gz HSLRMYAVISSRFX-SNVBAGLBSA-N 0 0 456.427 3.851 20 5 JHBDRN CN(CCn1c([C@H]2CCCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001314865425 1071266674 /nfs/dbraw/zinc/26/66/74/1071266674.db2.gz JXZKQDUGIYNBTL-IBGZPJMESA-N 0 0 488.589 3.626 20 5 JHBDRN CCn1cc(C2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCNC(=O)C(C)(C)C)CC2)cn1 ZINC001313831432 1071304962 /nfs/dbraw/zinc/30/49/62/1071304962.db2.gz VELSXSGNDXRCAI-UHFFFAOYSA-N 0 0 494.600 3.616 20 5 JHBDRN O=C(Nc1ccn(Cc2ccccn2)n1)N(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001310330449 1071311831 /nfs/dbraw/zinc/31/18/31/1071311831.db2.gz RFRLIVLKHAZNDO-MXVIHJGJSA-N 0 0 450.499 3.572 20 5 JHBDRN Cn1cc([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCSC(F)(F)F)C2)cn1 ZINC001314898164 1071333162 /nfs/dbraw/zinc/33/31/62/1071333162.db2.gz FGXWJMDQXBXROH-CQSZACIVSA-N 0 0 467.477 3.834 20 5 JHBDRN CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001314940328 1071391673 /nfs/dbraw/zinc/39/16/73/1071391673.db2.gz GZOMOXUBTZTHBR-UHFFFAOYSA-N 0 0 485.614 3.729 20 5 JHBDRN CCNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001313963587 1071678058 /nfs/dbraw/zinc/67/80/58/1071678058.db2.gz NYPDKILPELGFQT-UHFFFAOYSA-N 0 0 454.531 3.596 20 5 JHBDRN CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001313994833 1071730403 /nfs/dbraw/zinc/73/04/03/1071730403.db2.gz SMXJXLLTJXAJBN-GOSISDBHSA-N 0 0 455.563 3.531 20 5 JHBDRN CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS[C@H](C)C1 ZINC001314028879 1071796743 /nfs/dbraw/zinc/79/67/43/1071796743.db2.gz SOIJJTDEAFEJTL-AEFFLSMTSA-N 0 0 476.603 3.956 20 5 JHBDRN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS[C@@H](C)C1 ZINC001314028880 1071796888 /nfs/dbraw/zinc/79/68/88/1071796888.db2.gz SOIJJTDEAFEJTL-FUHWJXTLSA-N 0 0 476.603 3.956 20 5 JHBDRN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(OC)CCC2)C1 ZINC001314032401 1071809389 /nfs/dbraw/zinc/80/93/89/1071809389.db2.gz KQEJQELWBOIYJZ-GOSISDBHSA-N 0 0 472.546 3.527 20 5 JHBDRN CCc1nc(C)c(Cn2c([C@H]3CCCOC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC001306010100 1068391962 /nfs/dbraw/zinc/39/19/62/1068391962.db2.gz PNQJCRNZMWICIC-SFHVURJKSA-N 0 0 454.531 3.666 20 5 JHBDRN CCc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001306141075 1068542197 /nfs/dbraw/zinc/54/21/97/1068542197.db2.gz RYMDZAXAXCRTKL-LJQANCHMSA-N 0 0 472.981 3.743 20 5 JHBDRN CCc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001306193784 1068585126 /nfs/dbraw/zinc/58/51/26/1068585126.db2.gz ORBSXYJJPIQQGB-LJQANCHMSA-N 0 0 499.616 3.722 20 5 JHBDRN CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001306196598 1068588808 /nfs/dbraw/zinc/58/88/08/1068588808.db2.gz GEXPPPRAQLAUHV-PGRDOPGGSA-N 0 0 456.591 3.917 20 5 JHBDRN C[C@H](NC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC001310626577 1069068331 /nfs/dbraw/zinc/06/83/31/1069068331.db2.gz KKIJZDOPMOLCAD-HNNXBMFYSA-N 0 0 452.515 3.658 20 5 JHBDRN Cn1c(=O)ccc2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])[C@H]3CC[C@H](O)CC3)cc21 ZINC001310643422 1069079033 /nfs/dbraw/zinc/07/90/33/1069079033.db2.gz DBOYDNIHRCFDTH-MXVIHJGJSA-N 0 0 450.495 3.784 20 5 JHBDRN COC(=O)C[C@](C)(NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)c1ccncc1 ZINC001310659474 1069092951 /nfs/dbraw/zinc/09/29/51/1069092951.db2.gz BRGRLUWDIWONIP-SFHVURJKSA-N 0 0 451.277 3.661 20 5 JHBDRN CCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001306526764 1069156475 /nfs/dbraw/zinc/15/64/75/1069156475.db2.gz IBFPAHHNMXVVLG-REWPJTCUSA-N 0 0 453.547 3.751 20 5 JHBDRN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001306527408 1069158143 /nfs/dbraw/zinc/15/81/43/1069158143.db2.gz BGAVZBGKQQZFIP-HSZRJFAPSA-N 0 0 485.976 3.779 20 5 JHBDRN CC(=O)N1CCN(c2cccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2C)C1=O ZINC001310852340 1069194475 /nfs/dbraw/zinc/19/44/75/1069194475.db2.gz DFXPAZJAOHVQST-UHFFFAOYSA-N 0 0 451.483 3.888 20 5 JHBDRN CCN(CCNC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001310878665 1069205209 /nfs/dbraw/zinc/20/52/09/1069205209.db2.gz GVFPWOAXTVNDQV-CQSZACIVSA-N 0 0 452.405 3.894 20 5 JHBDRN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001306561170 1069230474 /nfs/dbraw/zinc/23/04/74/1069230474.db2.gz RCFBUNTYQKUTBP-UHFFFAOYSA-N 0 0 458.740 3.922 20 5 JHBDRN CCOc1cc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001310944999 1069230757 /nfs/dbraw/zinc/23/07/57/1069230757.db2.gz OUGVWEDNLKHJRG-XLIONFOSSA-N 0 0 478.546 3.920 20 5 JHBDRN CCOc1cc(NC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC001310944435 1069230862 /nfs/dbraw/zinc/23/08/62/1069230862.db2.gz FUOJMOBXNVFNHX-HNNXBMFYSA-N 0 0 457.405 3.916 20 5 JHBDRN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC001310991460 1069242734 /nfs/dbraw/zinc/24/27/34/1069242734.db2.gz ASRZTEXWCYTFAS-MAUKXSAKSA-N 0 0 459.478 3.841 20 5 JHBDRN Cc1nc(CN2CCN(C)C3(CCN(c4ccc5ccc6cccnc6c5n4)CC3)C2=O)cs1 ZINC001164824040 720363762 /nfs/dbraw/zinc/36/37/62/720363762.db2.gz HTQBTRWSGXBCKN-UHFFFAOYSA-N 0 0 472.618 3.861 20 5 JHBDRN O=C(N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1)c1ccccc1 ZINC001164860032 720897278 /nfs/dbraw/zinc/89/72/78/720897278.db2.gz RYIIRFQQINVSBP-OXQOHEQNSA-N 0 0 466.872 3.746 20 5 JHBDRN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164875134 721223158 /nfs/dbraw/zinc/22/31/58/721223158.db2.gz WRYAIMKKWCVXIR-MRXNPFEDSA-N 0 0 497.930 3.674 20 5 JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4OCCN(c5cnccn5)[C@H]4C3)cnc2Cl)c1 ZINC001164763710 721267567 /nfs/dbraw/zinc/26/75/67/721267567.db2.gz FGZNOMRKNPXZPL-RBUKOAKNSA-N 0 0 488.882 3.739 20 5 JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4OCCN(c5cnccn5)[C@@H]4C3)cnc2Cl)c1 ZINC001164763712 721267718 /nfs/dbraw/zinc/26/77/18/721267718.db2.gz FGZNOMRKNPXZPL-RTBURBONSA-N 0 0 488.882 3.739 20 5 JHBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4OCCN(c5cnccn5)[C@H]4C3)cnc2Cl)c1 ZINC001164763708 721267834 /nfs/dbraw/zinc/26/78/34/721267834.db2.gz FGZNOMRKNPXZPL-OALUTQOASA-N 0 0 488.882 3.739 20 5 JHBDRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164778934 721323073 /nfs/dbraw/zinc/32/30/73/721323073.db2.gz RSMQCFNCFSXPBW-RBZFPXEDSA-N 0 0 465.888 3.945 20 5 JHBDRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164896001 721474401 /nfs/dbraw/zinc/47/44/01/721474401.db2.gz TXYDBFHSPUNJLR-IBGZPJMESA-N 0 0 451.861 3.745 20 5 JHBDRN COc1cc2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2cc1[N+](=O)[O-] ZINC001164911591 721755152 /nfs/dbraw/zinc/75/51/52/721755152.db2.gz WXAAZSPGCIVYEJ-UHFFFAOYSA-N 0 0 460.494 3.729 20 5 JHBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)nc1Cl ZINC001164914032 721802317 /nfs/dbraw/zinc/80/23/17/721802317.db2.gz KHANBESMMGZDBJ-INIZCTEOSA-N 0 0 460.819 3.720 20 5 JHBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cnc1Cl ZINC001164915875 721808683 /nfs/dbraw/zinc/80/86/83/721808683.db2.gz CUTYKJXIJLGDHZ-PVXIVEMSSA-N 0 0 460.890 3.845 20 5 JHBDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC001164944738 721964805 /nfs/dbraw/zinc/96/48/05/721964805.db2.gz JECRSOAEFUSULE-ICSRJNTNSA-N 0 0 450.873 3.957 20 5 JHBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164948180 721981251 /nfs/dbraw/zinc/98/12/51/721981251.db2.gz JVTNIGYYAGFUCW-UHFFFAOYSA-N 0 0 465.941 3.767 20 5 JHBDRN O=C1[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969617 722081784 /nfs/dbraw/zinc/08/17/84/722081784.db2.gz LPYQHNKRXNFFNU-WBVHZDCISA-N 0 0 484.862 3.581 20 5 JHBDRN O=C1[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164968695 722081880 /nfs/dbraw/zinc/08/18/80/722081880.db2.gz DCHRIDSUQRAFID-AEFFLSMTSA-N 0 0 484.862 3.581 20 5 JHBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)nn4)CC[C@H]32)cs1 ZINC001164985086 722184398 /nfs/dbraw/zinc/18/43/98/722184398.db2.gz AABTUOMKRZOVRA-FYYLOGMGSA-N 0 0 480.594 3.995 20 5 JHBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)nc(-c5ccc([N+](=O)[O-])cc5)n4)CC[C@@H]32)cs1 ZINC001164992927 722185559 /nfs/dbraw/zinc/18/55/59/722185559.db2.gz YCMAGLPDYWBMML-FCHUYYIVSA-N 0 0 480.594 3.995 20 5 JHBDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)CC[C@@H]32)cs1 ZINC001164986467 722186666 /nfs/dbraw/zinc/18/66/66/722186666.db2.gz FMIVRCMMKXSFSJ-HKUYNNGSSA-N 0 0 474.974 3.826 20 5 JHBDRN