smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769623473 1078477774 /nfs/dbraw/zinc/47/77/74/1078477774.db2.gz OKAMVWWSZOAOCR-UHFFFAOYSA-N 0 1 424.442 2.176 20 5 HEBDMN COc1cc(C(=O)OCc2n[nH]c(C)n2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000770639787 1078908939 /nfs/dbraw/zinc/90/89/39/1078908939.db2.gz JYZPGHTWFQWUCM-UHFFFAOYSA-N 0 1 405.392 2.422 20 5 HEBDMN COc1ccc(NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001169113348 1079160895 /nfs/dbraw/zinc/16/08/95/1079160895.db2.gz UBPQKZFIIIZXHK-HNNXBMFYSA-N 0 1 408.455 2.435 20 5 HEBDMN COc1ccc(NC(=O)CCN[C@@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001169698162 1079366244 /nfs/dbraw/zinc/36/62/44/1079366244.db2.gz QMYVYJQOUXFPJP-HXUWFJFHSA-N 0 1 401.419 2.192 20 5 HEBDMN COC(=O)[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000766791718 1079383176 /nfs/dbraw/zinc/38/31/76/1079383176.db2.gz BQPJPNXSOVWVNW-INIZCTEOSA-N 0 1 414.386 2.249 20 5 HEBDMN Cc1c([N+](=O)[O-])cc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000771746622 1079478325 /nfs/dbraw/zinc/47/83/25/1079478325.db2.gz WJDCQOSMXHHZSI-UHFFFAOYSA-N 0 1 412.362 2.439 20 5 HEBDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C ZINC000742304046 1076812573 /nfs/dbraw/zinc/81/25/73/1076812573.db2.gz MKKOJRFLTCWHRS-JQWIXIFHSA-N 0 1 406.302 2.461 20 5 HEBDMN COc1cc(CNC[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000742375284 1076834851 /nfs/dbraw/zinc/83/48/51/1076834851.db2.gz CDVGWPSYSRSDRN-CYBMUJFWSA-N 0 1 404.345 2.101 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000767315358 1079814959 /nfs/dbraw/zinc/81/49/59/1079814959.db2.gz NRXIUZAJXDQFKF-NEPJUHHUSA-N 0 1 424.342 2.023 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)cs1 ZINC000768883240 1080831134 /nfs/dbraw/zinc/83/11/34/1080831134.db2.gz YUSXKUZBBGYUJR-UHFFFAOYSA-N 0 1 411.505 2.092 20 5 HEBDMN O=C(c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC(O)CC1 ZINC000768884082 1080831637 /nfs/dbraw/zinc/83/16/37/1080831637.db2.gz QBOHQJHGGKFICK-UHFFFAOYSA-N 0 1 411.461 2.054 20 5 HEBDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1C ZINC000769636043 1081154587 /nfs/dbraw/zinc/15/45/87/1081154587.db2.gz NPUQSJTVOHJLLL-UHFFFAOYSA-N 0 1 418.225 2.283 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893626 721382735 /nfs/dbraw/zinc/38/27/35/721382735.db2.gz WFUALQAHCHXXRM-QFBILLFUSA-N 0 1 409.918 2.409 20 5 HEBDMN COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886609 721406544 /nfs/dbraw/zinc/40/65/44/721406544.db2.gz KHEIKKROCKOCGX-LAUBAEHRSA-N 0 1 419.526 2.072 20 5 HEBDMN COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886611 721406968 /nfs/dbraw/zinc/40/69/68/721406968.db2.gz KHEIKKROCKOCGX-UTKZUKDTSA-N 0 1 419.526 2.072 20 5 HEBDMN Cc1c(C)c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890910 721418044 /nfs/dbraw/zinc/41/80/44/721418044.db2.gz UIBZRWWTMSXGGI-NQIIRXRSSA-N 0 1 403.527 2.372 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907588 721567252 /nfs/dbraw/zinc/56/72/52/721567252.db2.gz OTSVKSGYKGXQMF-HOCLYGCPSA-N 0 1 416.409 2.257 20 5 HEBDMN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N(C)C ZINC000745730668 1078619290 /nfs/dbraw/zinc/61/92/90/1078619290.db2.gz QDYRPQSRFLFVQE-GFCCVEGCSA-N 0 1 421.431 2.029 20 5 HEBDMN COc1cccc(C[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CCN2)c1 ZINC001169251804 1079212459 /nfs/dbraw/zinc/21/24/59/1079212459.db2.gz PRKIVUVZCSDXEI-QGZVFWFLSA-N 0 1 421.457 2.446 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1[N+](=O)[O-] ZINC000771527374 1079371614 /nfs/dbraw/zinc/37/16/14/1079371614.db2.gz YRKOXMVSJNMRAL-UHFFFAOYSA-N 0 1 409.450 2.474 20 5 HEBDMN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305625 1076813219 /nfs/dbraw/zinc/81/32/19/1076813219.db2.gz WZVQKJMLFKPSSB-PWSUYJOCSA-N 0 1 406.302 2.318 20 5 HEBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000785516007 1080029826 /nfs/dbraw/zinc/02/98/26/1080029826.db2.gz UEVNOBYSDFIXTR-LBPRGKRZSA-N 0 1 408.432 2.489 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(S(N)(=O)=O)c2)cc([N+](=O)[O-])c1F ZINC000768272989 1080453760 /nfs/dbraw/zinc/45/37/60/1080453760.db2.gz APFILSDHCMFQAR-UHFFFAOYSA-N 0 1 423.831 2.144 20 5 HEBDMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768866808 1080824777 /nfs/dbraw/zinc/82/47/77/1080824777.db2.gz CIHDMXQZNBIKAU-UHFFFAOYSA-N 0 1 419.868 2.299 20 5 HEBDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c[nH]1 ZINC000769635319 1081152483 /nfs/dbraw/zinc/15/24/83/1081152483.db2.gz CCJDBUFQLBCFCM-UHFFFAOYSA-N 0 1 404.198 2.273 20 5 HEBDMN COC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001164859771 720945305 /nfs/dbraw/zinc/94/53/05/720945305.db2.gz NMCNMRQGBHZXNM-CYBMUJFWSA-N 0 1 402.455 2.394 20 5 HEBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906395 721534122 /nfs/dbraw/zinc/53/41/22/721534122.db2.gz KRXPSWSEXMSPIN-HOCLYGCPSA-N 0 1 403.414 2.183 20 5 HEBDMN COC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904729 721538944 /nfs/dbraw/zinc/53/89/44/721538944.db2.gz GEKHYKAVSSVXNZ-ZBFHGGJFSA-N 0 1 416.409 2.257 20 5 HEBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983425 722100711 /nfs/dbraw/zinc/10/07/11/722100711.db2.gz QAPUBGXYWPAGGK-ZBFHGGJFSA-N 0 1 404.858 2.161 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975469 722100786 /nfs/dbraw/zinc/10/07/86/722100786.db2.gz BWCFXXIIRVHUNJ-CVEARBPZSA-N 0 1 418.885 2.469 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981534 722105167 /nfs/dbraw/zinc/10/51/67/722105167.db2.gz LQELSINJCYRXQQ-CVEARBPZSA-N 0 1 418.885 2.469 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979182 722128595 /nfs/dbraw/zinc/12/85/95/722128595.db2.gz PMKVSZGOMQOWRM-NVXWUHKLSA-N 0 1 419.869 2.004 20 5 HEBDMN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000746176876 1078811009 /nfs/dbraw/zinc/81/10/09/1078811009.db2.gz HBYIQGBOGNNGLR-UHFFFAOYSA-N 0 1 403.432 2.412 20 5 HEBDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000771187182 1079214276 /nfs/dbraw/zinc/21/42/76/1079214276.db2.gz BYMVYUBNCCGPPY-UHFFFAOYSA-N 0 1 408.360 2.012 20 5 HEBDMN COC(=O)C[C@@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001169407760 1079253262 /nfs/dbraw/zinc/25/32/62/1079253262.db2.gz ILZXHBHKXCNGHK-HXUWFJFHSA-N 0 1 416.434 2.395 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000771277836 1079264633 /nfs/dbraw/zinc/26/46/33/1079264633.db2.gz YIYXNMVKUJTXJW-UHFFFAOYSA-N 0 1 422.423 2.009 20 5 HEBDMN CCOC(=O)c1oc2ccccc2c1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742289010 1076817298 /nfs/dbraw/zinc/81/72/98/1076817298.db2.gz QEGMKDLRBIBUHD-UHFFFAOYSA-N 0 1 405.388 2.391 20 5 HEBDMN Cc1cc(S(=O)(=O)NC2CCN(CCOC(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000771769895 1079524330 /nfs/dbraw/zinc/52/43/30/1079524330.db2.gz QUMIMZWLBIEUTL-UHFFFAOYSA-N 0 1 403.476 2.210 20 5 HEBDMN COC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000785545691 1080052059 /nfs/dbraw/zinc/05/20/59/1080052059.db2.gz VCLLFUNMPAIQKD-UHFFFAOYSA-N 0 1 408.388 2.034 20 5 HEBDMN O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768779443 1080793211 /nfs/dbraw/zinc/79/32/11/1080793211.db2.gz DCAWFJMVWIWARR-KRWDZBQOSA-N 0 1 407.423 2.203 20 5 HEBDMN O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768779443 1080793231 /nfs/dbraw/zinc/79/32/31/1080793231.db2.gz DCAWFJMVWIWARR-KRWDZBQOSA-N 0 1 407.423 2.203 20 5 HEBDMN COc1ccccc1[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1C ZINC000768799316 1080803363 /nfs/dbraw/zinc/80/33/63/1080803363.db2.gz TVBDSDKTJLVNLV-HNNXBMFYSA-N 0 1 408.461 2.466 20 5 HEBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1N1CCCS1(=O)=O ZINC000768886924 1080832665 /nfs/dbraw/zinc/83/26/65/1080832665.db2.gz FGJWEWJYVUHIKT-UHFFFAOYSA-N 0 1 417.490 2.305 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740061 720659926 /nfs/dbraw/zinc/65/99/26/720659926.db2.gz PLFNSCWXJBVNDM-WDEREUQCSA-N 0 1 411.249 2.429 20 5 HEBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765090 721084900 /nfs/dbraw/zinc/08/49/00/721084900.db2.gz IJJOMXDIJUWZQK-OLZOCXBDSA-N 0 1 423.930 2.452 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894494 721383120 /nfs/dbraw/zinc/38/31/20/721383120.db2.gz YJYZUUZDADESFL-LPHOPBHVSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887343 721383313 /nfs/dbraw/zinc/38/33/13/721383313.db2.gz HRZSSYCXNIRVKL-QFBILLFUSA-N 0 1 409.918 2.409 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975472 722100494 /nfs/dbraw/zinc/10/04/94/722100494.db2.gz BWCFXXIIRVHUNJ-JKSUJKDBSA-N 0 1 418.885 2.469 20 5 HEBDMN Cc1cc(S(=O)(=O)NCc2n[nH]c(COc3ccccc3)n2)cc([N+](=O)[O-])c1F ZINC000770280661 1078805729 /nfs/dbraw/zinc/80/57/29/1078805729.db2.gz MIPRSEINSUDAMO-UHFFFAOYSA-N 0 1 421.410 2.218 20 5 HEBDMN Cn1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCC2)n1 ZINC001649138856 1078870611 /nfs/dbraw/zinc/87/06/11/1078870611.db2.gz OGSUCPJODCAQMA-UHFFFAOYSA-N 0 1 407.496 2.054 20 5 HEBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000771571281 1079389179 /nfs/dbraw/zinc/38/91/79/1079389179.db2.gz QZQVXIHURJZONI-UHFFFAOYSA-N 0 1 401.354 2.126 20 5 HEBDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C ZINC000742304048 1076812537 /nfs/dbraw/zinc/81/25/37/1076812537.db2.gz MKKOJRFLTCWHRS-ZYHUDNBSSA-N 0 1 406.302 2.461 20 5 HEBDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C ZINC000742303637 1076812700 /nfs/dbraw/zinc/81/27/00/1076812700.db2.gz LEKSFRBAJGMNES-WDEREUQCSA-N 0 1 406.302 2.461 20 5 HEBDMN O=C(CN1CCC(OCC2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744428047 1077390481 /nfs/dbraw/zinc/39/04/81/1077390481.db2.gz FFWKMZWVNMDKBH-UHFFFAOYSA-N 0 1 402.495 2.134 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1N(C)C ZINC000767314021 1079813341 /nfs/dbraw/zinc/81/33/41/1079813341.db2.gz COAIAWAFYRYBNQ-STQMWFEESA-N 0 1 424.342 2.023 20 5 HEBDMN O=C(OCCO)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000785548629 1080053854 /nfs/dbraw/zinc/05/38/54/1080053854.db2.gz ZYPXFCOKLVMFDR-UHFFFAOYSA-N 0 1 400.796 2.198 20 5 HEBDMN O=C(COC(=O)CC1(N2CCOCC2)CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786094764 1080390277 /nfs/dbraw/zinc/39/02/77/1080390277.db2.gz ASWKGRNZBLOHKM-UHFFFAOYSA-N 0 1 409.414 2.251 20 5 HEBDMN C[C@](NS(=O)(=O)c1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000768844976 1080821985 /nfs/dbraw/zinc/82/19/85/1080821985.db2.gz BUDXHFMQXSCVEX-CYBMUJFWSA-N 0 1 423.394 2.354 20 5 HEBDMN CNS(=O)(=O)c1cccc(NC(=O)CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000786817569 1080841524 /nfs/dbraw/zinc/84/15/24/1080841524.db2.gz ZPUJMAYGEDNSDZ-NTEUORMPSA-N 0 1 418.475 2.135 20 5 HEBDMN O=C(N[C@@H](CCO)C1CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769409258 1081065859 /nfs/dbraw/zinc/06/58/59/1081065859.db2.gz BINSTAOHUKACSE-SFHVURJKSA-N 0 1 419.459 2.286 20 5 HEBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164765098 721084066 /nfs/dbraw/zinc/08/40/66/721084066.db2.gz IJJOMXDIJUWZQK-QWHCGFSZSA-N 0 1 423.930 2.452 20 5 HEBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765108 721084162 /nfs/dbraw/zinc/08/41/62/721084162.db2.gz IJJOMXDIJUWZQK-STQMWFEESA-N 0 1 423.930 2.452 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164888198 721417107 /nfs/dbraw/zinc/41/71/07/721417107.db2.gz NLWKFCRAHYASRQ-RXVVDRJESA-N 0 1 403.527 2.372 20 5 HEBDMN COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896802 721524267 /nfs/dbraw/zinc/52/42/67/721524267.db2.gz BNIPHSZICCEMBD-DOTOQJQBSA-N 0 1 416.409 2.257 20 5 HEBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906396 721534337 /nfs/dbraw/zinc/53/43/37/721534337.db2.gz KRXPSWSEXMSPIN-ZBFHGGJFSA-N 0 1 403.414 2.183 20 5 HEBDMN CN(C)/C=C\c1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165009811 721743950 /nfs/dbraw/zinc/74/39/50/721743950.db2.gz JDIZNPZKHUEGHA-WDZFZDKYSA-N 0 1 416.526 2.045 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975470 722100756 /nfs/dbraw/zinc/10/07/56/722100756.db2.gz BWCFXXIIRVHUNJ-HOTGVXAUSA-N 0 1 418.885 2.469 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979187 722129148 /nfs/dbraw/zinc/12/91/48/722129148.db2.gz PMKVSZGOMQOWRM-WBVHZDCISA-N 0 1 419.869 2.004 20 5 HEBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000746014434 1078734092 /nfs/dbraw/zinc/73/40/92/1078734092.db2.gz FKBJHPTUWHWHAZ-KRWDZBQOSA-N 0 1 415.498 2.218 20 5 HEBDMN CCOC(=O)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000770280701 1078805768 /nfs/dbraw/zinc/80/57/68/1078805768.db2.gz MUXFUXZWWLWBHZ-SECBINFHSA-N 0 1 412.251 2.411 20 5 HEBDMN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746430063 1078943519 /nfs/dbraw/zinc/94/35/19/1078943519.db2.gz PRAHIQZCVNRFRP-MRXNPFEDSA-N 0 1 420.491 2.463 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742286038 1076815996 /nfs/dbraw/zinc/81/59/96/1076815996.db2.gz WPTVYNVWJWKXNA-MNOVXSKESA-N 0 1 410.279 2.043 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286038 1076815998 /nfs/dbraw/zinc/81/59/98/1076815998.db2.gz WPTVYNVWJWKXNA-MNOVXSKESA-N 0 1 410.279 2.043 20 5 HEBDMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000804345094 1079534825 /nfs/dbraw/zinc/53/48/25/1079534825.db2.gz JCLPKNRALMOCEQ-UHFFFAOYSA-N 0 1 415.469 2.206 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1N(C)C ZINC000767314016 1079813293 /nfs/dbraw/zinc/81/32/93/1079813293.db2.gz COAIAWAFYRYBNQ-CHWSQXEVSA-N 0 1 424.342 2.023 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1N(C)C ZINC000767314019 1079813348 /nfs/dbraw/zinc/81/33/48/1079813348.db2.gz COAIAWAFYRYBNQ-QWHCGFSZSA-N 0 1 424.342 2.023 20 5 HEBDMN C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432469 1079860972 /nfs/dbraw/zinc/86/09/72/1079860972.db2.gz FVDVHNNSRIVVOD-YLJYHZDGSA-N 0 1 412.494 2.023 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CCCN3CCOCC3)CC2)cs1 ZINC000768886322 1080832383 /nfs/dbraw/zinc/83/23/83/1080832383.db2.gz BQNREFPWASZKGP-UHFFFAOYSA-N 0 1 403.526 2.169 20 5 HEBDMN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000768899982 1080839294 /nfs/dbraw/zinc/83/92/94/1080839294.db2.gz KNHFLRRBULCZPW-QGZVFWFLSA-N 0 1 424.406 2.170 20 5 HEBDMN Cc1cc(C(=O)NCC(=O)OCCN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000769041748 1080892471 /nfs/dbraw/zinc/89/24/71/1080892471.db2.gz ASEODTCGFICEJB-UHFFFAOYSA-N 0 1 403.410 2.447 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740059 720659728 /nfs/dbraw/zinc/65/97/28/720659728.db2.gz PLFNSCWXJBVNDM-MNOVXSKESA-N 0 1 411.249 2.429 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863234 721021989 /nfs/dbraw/zinc/02/19/89/721021989.db2.gz UMJPUZCHPYIXRB-CYBMUJFWSA-N 0 1 402.455 2.394 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893569 721382788 /nfs/dbraw/zinc/38/27/88/721382788.db2.gz VEVLZQFEIDCVHP-KXBFYZLASA-N 0 1 424.933 2.112 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886230 721383219 /nfs/dbraw/zinc/38/32/19/721383219.db2.gz DRBMNRUWIQHAID-BEFAXECRSA-N 0 1 409.918 2.409 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907589 721567078 /nfs/dbraw/zinc/56/70/78/721567078.db2.gz OTSVKSGYKGXQMF-ZBFHGGJFSA-N 0 1 416.409 2.257 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975471 722100618 /nfs/dbraw/zinc/10/06/18/722100618.db2.gz BWCFXXIIRVHUNJ-HZPDHXFCSA-N 0 1 418.885 2.469 20 5 HEBDMN Cc1cc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cc([N+](=O)[O-])c1F ZINC000771744032 1079476923 /nfs/dbraw/zinc/47/69/23/1079476923.db2.gz UQLBOGLWHHIPMR-UHFFFAOYSA-N 0 1 415.487 2.165 20 5 HEBDMN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000741258470 1076447085 /nfs/dbraw/zinc/44/70/85/1076447085.db2.gz CQQWKZATQUIROK-GFCCVEGCSA-N 0 1 403.432 2.316 20 5 HEBDMN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305626 1076813201 /nfs/dbraw/zinc/81/32/01/1076813201.db2.gz WZVQKJMLFKPSSB-ZYHUDNBSSA-N 0 1 406.302 2.318 20 5 HEBDMN O=C1OCCN1c1cccc2c1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857412 1077144425 /nfs/dbraw/zinc/14/44/25/1077144425.db2.gz AYXFHJRCUWJACR-KRWDZBQOSA-N 0 1 413.430 2.349 20 5 HEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786100253 1080395760 /nfs/dbraw/zinc/39/57/60/1080395760.db2.gz NXPUYWUJASHZBE-UHFFFAOYSA-N 0 1 405.451 2.420 20 5 HEBDMN O=c1[nH]nc(C2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000786554773 1080683152 /nfs/dbraw/zinc/68/31/52/1080683152.db2.gz MMEFNVLOVAHFHT-UHFFFAOYSA-N 0 1 422.341 2.361 20 5 HEBDMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000768899974 1080839352 /nfs/dbraw/zinc/83/93/52/1080839352.db2.gz KNHFLRRBULCZPW-KRWDZBQOSA-N 0 1 424.406 2.170 20 5 HEBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000769187390 1080997983 /nfs/dbraw/zinc/99/79/83/1080997983.db2.gz BZGSJJTXISTXHJ-INIZCTEOSA-N 0 1 412.431 2.473 20 5 HEBDMN COC(=O)[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCN(Cc2ccccc2)C1 ZINC000787111945 1081005573 /nfs/dbraw/zinc/00/55/73/1081005573.db2.gz BCBMTXUBZJQIRP-NRFANRHFSA-N 0 1 412.446 2.115 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887337 721383167 /nfs/dbraw/zinc/38/31/67/721383167.db2.gz HRZSSYCXNIRVKL-APWZRJJASA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886235 721383584 /nfs/dbraw/zinc/38/35/84/721383584.db2.gz DRBMNRUWIQHAID-HNAYVOBHSA-N 0 1 409.918 2.409 20 5 HEBDMN COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164896810 721524597 /nfs/dbraw/zinc/52/45/97/721524597.db2.gz BNIPHSZICCEMBD-RDJZCZTQSA-N 0 1 416.409 2.257 20 5 HEBDMN COC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904727 721538798 /nfs/dbraw/zinc/53/87/98/721538798.db2.gz GEKHYKAVSSVXNZ-HOCLYGCPSA-N 0 1 416.409 2.257 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904006 721543130 /nfs/dbraw/zinc/54/31/30/721543130.db2.gz FCJSCFCMFFQPNN-GDBMZVCRSA-N 0 1 408.817 2.363 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971938 722121306 /nfs/dbraw/zinc/12/13/06/722121306.db2.gz DXEZIAYTRIAZQW-DOTOQJQBSA-N 0 1 419.869 2.004 20 5 HEBDMN C[C@H](CCN1CCN(C)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000770221457 1078772707 /nfs/dbraw/zinc/77/27/07/1078772707.db2.gz CHQCDGHJNQWXNE-GFCCVEGCSA-N 0 1 406.455 2.029 20 5 HEBDMN COc1cccc(C[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CCN2)c1 ZINC001169251802 1079212333 /nfs/dbraw/zinc/21/23/33/1079212333.db2.gz PRKIVUVZCSDXEI-KRWDZBQOSA-N 0 1 421.457 2.446 20 5 HEBDMN CCn1c(=O)c2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2[nH]c1=S ZINC000771465440 1079362286 /nfs/dbraw/zinc/36/22/86/1079362286.db2.gz VEJDXCMNDDOMTB-UHFFFAOYSA-N 0 1 413.419 2.372 20 5 HEBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)c(F)c1 ZINC000771609475 1079395555 /nfs/dbraw/zinc/39/55/55/1079395555.db2.gz QDGYZDUIFAMPSE-UHFFFAOYSA-N 0 1 423.831 2.144 20 5 HEBDMN CCOc1cc(N2CCN(C[C@@H](O)CC3(CO)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001169908780 1079473299 /nfs/dbraw/zinc/47/32/99/1079473299.db2.gz UTSAMTYSFDQAMF-SFHVURJKSA-N 0 1 407.511 2.419 20 5 HEBDMN CC[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N(CC)CC ZINC000741032649 1076331328 /nfs/dbraw/zinc/33/13/28/1076331328.db2.gz LWGAYAMVKIASDH-AWEZNQCLSA-N 0 1 409.439 2.358 20 5 HEBDMN COc1cc(CNC[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000742375285 1076834780 /nfs/dbraw/zinc/83/47/80/1076834780.db2.gz CDVGWPSYSRSDRN-ZDUSSCGKSA-N 0 1 404.345 2.101 20 5 HEBDMN CS[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000742420357 1076836772 /nfs/dbraw/zinc/83/67/72/1076836772.db2.gz BISXTNOETLXPBT-STQMWFEESA-N 0 1 402.542 2.131 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1N(C)C ZINC000767314018 1079813308 /nfs/dbraw/zinc/81/33/08/1079813308.db2.gz COAIAWAFYRYBNQ-OLZOCXBDSA-N 0 1 424.342 2.023 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc([N+](=O)[O-])c1F ZINC000768285271 1080459217 /nfs/dbraw/zinc/45/92/17/1080459217.db2.gz NDJTYGQLORTRHR-UHFFFAOYSA-N 0 1 417.440 2.239 20 5 HEBDMN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1-n1nnnc1C1CC1 ZINC000768888050 1080833443 /nfs/dbraw/zinc/83/34/43/1080833443.db2.gz JHIKZKYKXVKZFL-UHFFFAOYSA-N 0 1 422.448 2.319 20 5 HEBDMN COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859315 720961377 /nfs/dbraw/zinc/96/13/77/720961377.db2.gz MQIILEABHSQQEX-LBPRGKRZSA-N 0 1 405.459 2.020 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893567 721382683 /nfs/dbraw/zinc/38/26/83/721382683.db2.gz VEVLZQFEIDCVHP-DNVCBOLYSA-N 0 1 424.933 2.112 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888868 721402396 /nfs/dbraw/zinc/40/23/96/721402396.db2.gz PACDRZVZQZUBIP-LPHOPBHVSA-N 0 1 409.918 2.409 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908438 721584086 /nfs/dbraw/zinc/58/40/86/721584086.db2.gz ZGERYYGNYOWJAO-GOSISDBHSA-N 0 1 405.405 2.361 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981539 722105189 /nfs/dbraw/zinc/10/51/89/722105189.db2.gz LQELSINJCYRXQQ-JKSUJKDBSA-N 0 1 418.885 2.469 20 5 HEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCS(C)(=O)=O)C(C)(C)C ZINC000770216649 1078791077 /nfs/dbraw/zinc/79/10/77/1078791077.db2.gz QMOQOQPDMQAGMB-UHFFFAOYSA-N 0 1 401.485 2.077 20 5 HEBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000770299057 1078821253 /nfs/dbraw/zinc/82/12/53/1078821253.db2.gz GABGGMPRJUMLAA-UHFFFAOYSA-N 0 1 418.947 2.251 20 5 HEBDMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771572219 1079375801 /nfs/dbraw/zinc/37/58/01/1079375801.db2.gz WHGZDNFCHWGUOV-UHFFFAOYSA-N 0 1 411.403 2.227 20 5 HEBDMN Cc1cc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])c1F ZINC000771751803 1079482529 /nfs/dbraw/zinc/48/25/29/1079482529.db2.gz AHAUUMQQNWHZTF-UHFFFAOYSA-N 0 1 409.374 2.445 20 5 HEBDMN Cc1cc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1F ZINC000771751803 1079482540 /nfs/dbraw/zinc/48/25/40/1079482540.db2.gz AHAUUMQQNWHZTF-UHFFFAOYSA-N 0 1 409.374 2.445 20 5 HEBDMN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305624 1076813267 /nfs/dbraw/zinc/81/32/67/1076813267.db2.gz WZVQKJMLFKPSSB-JQWIXIFHSA-N 0 1 406.302 2.318 20 5 HEBDMN COc1ccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408424 1077382929 /nfs/dbraw/zinc/38/29/29/1077382929.db2.gz ZWROEGNJOGQRSJ-CYBMUJFWSA-N 0 1 403.395 2.472 20 5 HEBDMN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000745334879 1077805288 /nfs/dbraw/zinc/80/52/88/1077805288.db2.gz YMOJMSXQWPYEGH-LPHOPBHVSA-N 0 1 411.458 2.460 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000767315779 1079814475 /nfs/dbraw/zinc/81/44/75/1079814475.db2.gz SBZNQZXBTTWPGI-OLZOCXBDSA-N 0 1 424.342 2.023 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cs1 ZINC000768805883 1080783937 /nfs/dbraw/zinc/78/39/37/1080783937.db2.gz OQYMVPRPVRGPBZ-UHFFFAOYSA-N 0 1 424.548 2.143 20 5 HEBDMN COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808360 1080785777 /nfs/dbraw/zinc/78/57/77/1080785777.db2.gz XNGQASUOVLLSDD-QGZVFWFLSA-N 0 1 419.459 2.073 20 5 HEBDMN COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808360 1080785788 /nfs/dbraw/zinc/78/57/88/1080785788.db2.gz XNGQASUOVLLSDD-QGZVFWFLSA-N 0 1 419.459 2.073 20 5 HEBDMN O=C1CN(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2Cl)CCN1 ZINC000768864977 1080844450 /nfs/dbraw/zinc/84/44/50/1080844450.db2.gz FQOFHSITZBVHBX-UHFFFAOYSA-N 0 1 416.868 2.047 20 5 HEBDMN CCOC(=O)c1ccnc(N2CCc3ncc(CN4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164736896 720591206 /nfs/dbraw/zinc/59/12/06/720591206.db2.gz VKCHJDWFPOPFPI-UHFFFAOYSA-N 0 1 414.466 2.022 20 5 HEBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738529 720687912 /nfs/dbraw/zinc/68/79/12/720687912.db2.gz KJSFIVZQHZIYOX-GHMZBOCLSA-N 0 1 411.249 2.429 20 5 HEBDMN COC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164859773 720947264 /nfs/dbraw/zinc/94/72/64/720947264.db2.gz NMCNMRQGBHZXNM-ZDUSSCGKSA-N 0 1 402.455 2.394 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164888196 721417277 /nfs/dbraw/zinc/41/72/77/721417277.db2.gz NLWKFCRAHYASRQ-NQIIRXRSSA-N 0 1 403.527 2.372 20 5 HEBDMN Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890907 721418157 /nfs/dbraw/zinc/41/81/57/721418157.db2.gz UIBZRWWTMSXGGI-GHTZIAJQSA-N 0 1 403.527 2.372 20 5 HEBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906394 721533681 /nfs/dbraw/zinc/53/36/81/721533681.db2.gz KRXPSWSEXMSPIN-GOEBONIOSA-N 0 1 403.414 2.183 20 5 HEBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983422 722100687 /nfs/dbraw/zinc/10/06/87/722100687.db2.gz QAPUBGXYWPAGGK-GDBMZVCRSA-N 0 1 404.858 2.161 20 5 HEBDMN COc1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971421 722113024 /nfs/dbraw/zinc/11/30/24/722113024.db2.gz CKBFMQDRFQBUDM-MJGOQNOKSA-N 0 1 413.478 2.429 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971941 722121356 /nfs/dbraw/zinc/12/13/56/722121356.db2.gz DXEZIAYTRIAZQW-RDJZCZTQSA-N 0 1 419.869 2.004 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000769883585 1078642272 /nfs/dbraw/zinc/64/22/72/1078642272.db2.gz WQFKPPLIWJULMB-QGZVFWFLSA-N 0 1 421.494 2.150 20 5 HEBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149877 1079166831 /nfs/dbraw/zinc/16/68/31/1079166831.db2.gz PCRDJVCSXUADIM-KRWDZBQOSA-N 0 1 406.446 2.488 20 5 HEBDMN CCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000741754655 1076620284 /nfs/dbraw/zinc/62/02/84/1076620284.db2.gz QLTSHFTYNMVZIR-UHFFFAOYSA-N 0 1 406.302 2.462 20 5 HEBDMN NC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231654 1076802421 /nfs/dbraw/zinc/80/24/21/1076802421.db2.gz SHGJUUBHQQBLJM-UHFFFAOYSA-N 0 1 400.210 2.257 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742286037 1076815961 /nfs/dbraw/zinc/81/59/61/1076815961.db2.gz WPTVYNVWJWKXNA-GHMZBOCLSA-N 0 1 410.279 2.043 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286037 1076815963 /nfs/dbraw/zinc/81/59/63/1076815963.db2.gz WPTVYNVWJWKXNA-GHMZBOCLSA-N 0 1 410.279 2.043 20 5 HEBDMN CS[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000742420355 1076836841 /nfs/dbraw/zinc/83/68/41/1076836841.db2.gz BISXTNOETLXPBT-QWHCGFSZSA-N 0 1 402.542 2.131 20 5 HEBDMN O=C(CN1CCN(CCCCO)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000746489322 1080085641 /nfs/dbraw/zinc/08/56/41/1080085641.db2.gz VJWFAABGTREZBD-UHFFFAOYSA-N 0 1 419.507 2.047 20 5 HEBDMN O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768807873 1080786260 /nfs/dbraw/zinc/78/62/60/1080786260.db2.gz UGHHXNUABCZNKY-MRXNPFEDSA-N 0 1 407.423 2.203 20 5 HEBDMN O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768807873 1080786270 /nfs/dbraw/zinc/78/62/70/1080786270.db2.gz UGHHXNUABCZNKY-MRXNPFEDSA-N 0 1 407.423 2.203 20 5 HEBDMN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000769193395 1080968564 /nfs/dbraw/zinc/96/85/64/1080968564.db2.gz ZAXMZHAIZXFTNY-AWEZNQCLSA-N 0 1 422.482 2.153 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893568 721382487 /nfs/dbraw/zinc/38/24/87/721382487.db2.gz VEVLZQFEIDCVHP-HNAYVOBHSA-N 0 1 424.933 2.112 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888874 721401926 /nfs/dbraw/zinc/40/19/26/721401926.db2.gz PACDRZVZQZUBIP-VQIMIIECSA-N 0 1 409.918 2.409 20 5 HEBDMN CN(C)/C=C/c1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165009805 721744086 /nfs/dbraw/zinc/74/40/86/721744086.db2.gz JDIZNPZKHUEGHA-IZZDOVSWSA-N 0 1 416.526 2.045 20 5 HEBDMN COc1cc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc(NS(C)(=O)=O)c1OC ZINC000745536763 1078527384 /nfs/dbraw/zinc/52/73/84/1078527384.db2.gz DSLMDTJUIKOLEN-UHFFFAOYSA-N 0 1 424.431 2.383 20 5 HEBDMN COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(NS(C)(=O)=O)c1OC ZINC000745536408 1078528074 /nfs/dbraw/zinc/52/80/74/1078528074.db2.gz ADWINFWLJPPRMO-UHFFFAOYSA-N 0 1 410.404 2.341 20 5 HEBDMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000771754040 1079484288 /nfs/dbraw/zinc/48/42/88/1079484288.db2.gz XZSSIHXCQBZQJV-INIZCTEOSA-N 0 1 412.395 2.244 20 5 HEBDMN Cc1c(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000741943173 1076688686 /nfs/dbraw/zinc/68/86/86/1076688686.db2.gz NTZBEVYMINWITJ-UHFFFAOYSA-N 0 1 401.379 2.224 20 5 HEBDMN CS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000742420353 1076836809 /nfs/dbraw/zinc/83/68/09/1076836809.db2.gz BISXTNOETLXPBT-OLZOCXBDSA-N 0 1 402.542 2.131 20 5 HEBDMN COC(=O)COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000785514772 1080028680 /nfs/dbraw/zinc/02/86/80/1080028680.db2.gz JYYNNWMFSNNPMR-UHFFFAOYSA-N 0 1 408.388 2.034 20 5 HEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786095660 1080390762 /nfs/dbraw/zinc/39/07/62/1080390762.db2.gz KVYVSSWEFHADOJ-UHFFFAOYSA-N 0 1 405.451 2.420 20 5 HEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768780246 1080794211 /nfs/dbraw/zinc/79/42/11/1080794211.db2.gz PPHJKWSLLBOHSO-QGZVFWFLSA-N 0 1 403.460 2.373 20 5 HEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768780246 1080794218 /nfs/dbraw/zinc/79/42/18/1080794218.db2.gz PPHJKWSLLBOHSO-QGZVFWFLSA-N 0 1 403.460 2.373 20 5 HEBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164683285 719706963 /nfs/dbraw/zinc/70/69/63/719706963.db2.gz JJFYSEAIQLFSJS-UHFFFAOYSA-N 0 1 417.844 2.369 20 5 HEBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164727313 720573022 /nfs/dbraw/zinc/57/30/22/720573022.db2.gz DKUZADKDMMTGFV-UHFFFAOYSA-N 0 1 414.466 2.022 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740058 720661300 /nfs/dbraw/zinc/66/13/00/720661300.db2.gz PLFNSCWXJBVNDM-GHMZBOCLSA-N 0 1 411.249 2.429 20 5 HEBDMN CSc1nc(Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764798 721146005 /nfs/dbraw/zinc/14/60/05/721146005.db2.gz IAEYZBOGYCWDRS-OLZOCXBDSA-N 0 1 423.930 2.452 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887346 721383464 /nfs/dbraw/zinc/38/34/64/721383464.db2.gz HRZSSYCXNIRVKL-VQIMIIECSA-N 0 1 409.918 2.409 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900550 721523701 /nfs/dbraw/zinc/52/37/01/721523701.db2.gz SDZAIYDUYAOOAC-ZBFHGGJFSA-N 0 1 403.370 2.379 20 5 HEBDMN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000770223809 1078773225 /nfs/dbraw/zinc/77/32/25/1078773225.db2.gz RLURPCKGXBXZHH-LBPRGKRZSA-N 0 1 424.445 2.326 20 5 HEBDMN CCC[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCN1CCOC ZINC000766373027 1078938225 /nfs/dbraw/zinc/93/82/25/1078938225.db2.gz DUXSZNRHCYGBIO-QGZVFWFLSA-N 0 1 405.499 2.227 20 5 HEBDMN COC(=O)COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001169072893 1079124925 /nfs/dbraw/zinc/12/49/25/1079124925.db2.gz OVMKIQGGIZMYFC-CYBMUJFWSA-N 0 1 417.418 2.445 20 5 HEBDMN O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766230227 1075938182 /nfs/dbraw/zinc/93/81/82/1075938182.db2.gz GBZFWZCUWPPLAQ-UHFFFAOYSA-N 0 1 412.383 2.322 20 5 HEBDMN COC(=O)N1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000742287301 1076817302 /nfs/dbraw/zinc/81/73/02/1076817302.db2.gz DEWGOKOTMIJDNG-VIFPVBQESA-N 0 1 412.251 2.411 20 5 HEBDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000742381387 1076833011 /nfs/dbraw/zinc/83/30/11/1076833011.db2.gz XKBHAEKPDACGDN-CQSZACIVSA-N 0 1 412.899 2.445 20 5 HEBDMN CN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3N3CCOC3=O)cn2)CC1 ZINC000742392362 1076833490 /nfs/dbraw/zinc/83/34/90/1076833490.db2.gz OOSZHFSIGIKYAE-UHFFFAOYSA-N 0 1 412.450 2.310 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000767315364 1079815025 /nfs/dbraw/zinc/81/50/25/1079815025.db2.gz NRXIUZAJXDQFKF-RYUDHWBXSA-N 0 1 424.342 2.023 20 5 HEBDMN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCC(C)(C)C1 ZINC000767442366 1079850368 /nfs/dbraw/zinc/85/03/68/1079850368.db2.gz RXDJNHJUCYANOK-UHFFFAOYSA-N 0 1 400.501 2.311 20 5 HEBDMN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000767869604 1080192403 /nfs/dbraw/zinc/19/24/03/1080192403.db2.gz YHCCFORAMUDDOY-CQSZACIVSA-N 0 1 417.915 2.219 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccccc2N2C(=O)CCC2=O)cc([N+](=O)[O-])c1F ZINC000768272049 1080453189 /nfs/dbraw/zinc/45/31/89/1080453189.db2.gz KJEWAYCPUWHCGX-UHFFFAOYSA-N 0 1 407.379 2.497 20 5 HEBDMN CC(=O)CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000768347318 1080523817 /nfs/dbraw/zinc/52/38/17/1080523817.db2.gz UBJWVGSDQYCUAY-UHFFFAOYSA-N 0 1 405.432 2.447 20 5 HEBDMN O=C(COC(=O)[C@@H]1CCCN1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883429 1080885691 /nfs/dbraw/zinc/88/56/91/1080885691.db2.gz ZWJWSRHSTZEIJP-AWEZNQCLSA-N 0 1 405.407 2.212 20 5 HEBDMN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000769193396 1080968884 /nfs/dbraw/zinc/96/88/84/1080968884.db2.gz ZAXMZHAIZXFTNY-CQSZACIVSA-N 0 1 422.482 2.153 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164889827 721392870 /nfs/dbraw/zinc/39/28/70/721392870.db2.gz MNMVTBVZEWURNW-KXBFYZLASA-N 0 1 424.933 2.112 20 5 HEBDMN COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896805 721524136 /nfs/dbraw/zinc/52/41/36/721524136.db2.gz BNIPHSZICCEMBD-NVXWUHKLSA-N 0 1 416.409 2.257 20 5 HEBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000769671853 1078512426 /nfs/dbraw/zinc/51/24/26/1078512426.db2.gz FOURPBRNODXKNG-UHFFFAOYSA-N 0 1 407.404 2.499 20 5 HEBDMN CC(C)(C)OC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746481997 1079039036 /nfs/dbraw/zinc/03/90/36/1079039036.db2.gz UHBZGVGFICIZOW-KRWDZBQOSA-N 0 1 423.514 2.408 20 5 HEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000766498964 1079041253 /nfs/dbraw/zinc/04/12/53/1079041253.db2.gz VRDIJSWICVIGQV-HNNXBMFYSA-N 0 1 420.491 2.065 20 5 HEBDMN CCN1CCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000741343896 1076487407 /nfs/dbraw/zinc/48/74/07/1076487407.db2.gz YNRYQBSDMVVPFS-UHFFFAOYSA-N 0 1 412.446 2.193 20 5 HEBDMN NC(=O)Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742235153 1076802707 /nfs/dbraw/zinc/80/27/07/1076802707.db2.gz OEMXAXOFFAQQGX-UHFFFAOYSA-N 0 1 414.237 2.186 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742286040 1076815971 /nfs/dbraw/zinc/81/59/71/1076815971.db2.gz WPTVYNVWJWKXNA-WDEREUQCSA-N 0 1 410.279 2.043 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742286040 1076815972 /nfs/dbraw/zinc/81/59/72/1076815972.db2.gz WPTVYNVWJWKXNA-WDEREUQCSA-N 0 1 410.279 2.043 20 5 HEBDMN O=[N+]([O-])c1ccc(N2CCN(CCCN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000743846046 1077149371 /nfs/dbraw/zinc/14/93/71/1077149371.db2.gz ZJZKUFHYGHVLGO-UHFFFAOYSA-N 0 1 402.417 2.458 20 5 HEBDMN CN1C[C@@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590612 1080259131 /nfs/dbraw/zinc/25/91/31/1080259131.db2.gz NEXNJDARSOMSGU-GFCCVEGCSA-N 0 1 403.220 2.269 20 5 HEBDMN O=C(CC1(N2CCOCC2)CCCC1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000786097594 1080392788 /nfs/dbraw/zinc/39/27/88/1080392788.db2.gz LHOABNDESVTOSL-SFHVURJKSA-N 0 1 417.462 2.278 20 5 HEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786097595 1080392886 /nfs/dbraw/zinc/39/28/86/1080392886.db2.gz LHVBBUJKYZFYRY-UHFFFAOYSA-N 0 1 405.451 2.420 20 5 HEBDMN O=C(CC1(N2CCOCC2)CCCC1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000786099365 1080394487 /nfs/dbraw/zinc/39/44/87/1080394487.db2.gz VNWPSHJWDHMGHU-UHFFFAOYSA-N 0 1 417.462 2.062 20 5 HEBDMN O=C(COC(=O)CC1(N2CCOCC2)CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000786098961 1080394600 /nfs/dbraw/zinc/39/46/00/1080394600.db2.gz FXGVDTYLXBWIIR-UHFFFAOYSA-N 0 1 409.414 2.251 20 5 HEBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000768867342 1080824322 /nfs/dbraw/zinc/82/43/22/1080824322.db2.gz QEJVAJBWBITUFN-UHFFFAOYSA-N 0 1 405.479 2.016 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867757 721060957 /nfs/dbraw/zinc/06/09/57/721060957.db2.gz KCXFMFASWXKDEN-LSDHHAIUSA-N 0 1 404.858 2.221 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888871 721402428 /nfs/dbraw/zinc/40/24/28/721402428.db2.gz PACDRZVZQZUBIP-QFBILLFUSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883647 721420350 /nfs/dbraw/zinc/42/03/50/721420350.db2.gz BPTJPHFHKHFNSI-IIBYNOLFSA-N 0 1 414.510 2.237 20 5 HEBDMN O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000769656597 1078493605 /nfs/dbraw/zinc/49/36/05/1078493605.db2.gz IBYPAIZBBAPWDT-CYBMUJFWSA-N 0 1 421.732 2.328 20 5 HEBDMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000769656599 1078493864 /nfs/dbraw/zinc/49/38/64/1078493864.db2.gz IBYPAIZBBAPWDT-ZDUSSCGKSA-N 0 1 421.732 2.328 20 5 HEBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000746014435 1078733906 /nfs/dbraw/zinc/73/39/06/1078733906.db2.gz FKBJHPTUWHWHAZ-QGZVFWFLSA-N 0 1 415.498 2.218 20 5 HEBDMN CCOC(=O)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000770280703 1078805829 /nfs/dbraw/zinc/80/58/29/1078805829.db2.gz MUXFUXZWWLWBHZ-VIFPVBQESA-N 0 1 412.251 2.411 20 5 HEBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000770282733 1078806797 /nfs/dbraw/zinc/80/67/97/1078806797.db2.gz WFBSTIIJUUQMNS-UHFFFAOYSA-N 0 1 423.838 2.424 20 5 HEBDMN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000746482001 1079038993 /nfs/dbraw/zinc/03/89/93/1079038993.db2.gz UHBZGVGFICIZOW-QGZVFWFLSA-N 0 1 423.514 2.408 20 5 HEBDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000766562605 1079098204 /nfs/dbraw/zinc/09/82/04/1079098204.db2.gz BWBPLZUWQYGUBE-UHFFFAOYSA-N 0 1 408.360 2.012 20 5 HEBDMN O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740153027 1076111248 /nfs/dbraw/zinc/11/12/48/1076111248.db2.gz JZJFJBBDZUSKHC-AWEZNQCLSA-N 0 1 418.793 2.359 20 5 HEBDMN CC(C)(C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000740392424 1076160405 /nfs/dbraw/zinc/16/04/05/1076160405.db2.gz XOBTUYKENNDNFS-UHFFFAOYSA-N 0 1 403.416 2.438 20 5 HEBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 ZINC000742272883 1076807492 /nfs/dbraw/zinc/80/74/92/1076807492.db2.gz PRISFMSDONVGTD-UHFFFAOYSA-N 0 1 404.286 2.262 20 5 HEBDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000742304110 1076812564 /nfs/dbraw/zinc/81/25/64/1076812564.db2.gz PCRHQTJEMYNVGR-GHMZBOCLSA-N 0 1 406.302 2.461 20 5 HEBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000742289720 1076818021 /nfs/dbraw/zinc/81/80/21/1076818021.db2.gz LJMLXVXOBDABRE-GFCCVEGCSA-N 0 1 404.286 2.216 20 5 HEBDMN Cc1cccc(F)c1CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000742422249 1076836790 /nfs/dbraw/zinc/83/67/90/1076836790.db2.gz SMSMLCULEQANDC-UHFFFAOYSA-N 0 1 410.471 2.494 20 5 HEBDMN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000745334878 1077805257 /nfs/dbraw/zinc/80/52/57/1077805257.db2.gz YMOJMSXQWPYEGH-APWZRJJASA-N 0 1 411.458 2.460 20 5 HEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786097965 1080394031 /nfs/dbraw/zinc/39/40/31/1080394031.db2.gz WOQMXUHBOFYCFN-UHFFFAOYSA-N 0 1 421.450 2.120 20 5 HEBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)c1[N+](=O)[O-] ZINC000768278590 1080481586 /nfs/dbraw/zinc/48/15/86/1080481586.db2.gz FNMQBKGBLWYUIN-QGZVFWFLSA-N 0 1 412.450 2.473 20 5 HEBDMN O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768808643 1080786900 /nfs/dbraw/zinc/78/69/00/1080786900.db2.gz ZLAMDQHHUJNQNW-IBGZPJMESA-N 0 1 417.487 2.248 20 5 HEBDMN O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768808643 1080786907 /nfs/dbraw/zinc/78/69/07/1080786907.db2.gz ZLAMDQHHUJNQNW-IBGZPJMESA-N 0 1 417.487 2.248 20 5 HEBDMN C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)n1cncn1 ZINC000768867198 1080824155 /nfs/dbraw/zinc/82/41/55/1080824155.db2.gz YBMKLCIHGWWKDL-JTQLQIEISA-N 0 1 422.448 2.248 20 5 HEBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738534 720688497 /nfs/dbraw/zinc/68/84/97/720688497.db2.gz KJSFIVZQHZIYOX-WDEREUQCSA-N 0 1 411.249 2.429 20 5 HEBDMN COc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164859313 720960172 /nfs/dbraw/zinc/96/01/72/720960172.db2.gz MQIILEABHSQQEX-GFCCVEGCSA-N 0 1 405.459 2.020 20 5 HEBDMN CSc1nc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764801 721146867 /nfs/dbraw/zinc/14/68/67/721146867.db2.gz IAEYZBOGYCWDRS-QWHCGFSZSA-N 0 1 423.930 2.452 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886233 721383346 /nfs/dbraw/zinc/38/33/46/721383346.db2.gz DRBMNRUWIQHAID-DNVCBOLYSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888501 721391245 /nfs/dbraw/zinc/39/12/45/721391245.db2.gz JOJBNFHFHKBQFS-DNVCBOLYSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)CC1 ZINC001164794627 721511715 /nfs/dbraw/zinc/51/17/15/721511715.db2.gz UFDCCCPSLMCLMW-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)CC1 ZINC001164794867 721512779 /nfs/dbraw/zinc/51/27/79/721512779.db2.gz XOOVUGQIFVFHMR-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979185 722128746 /nfs/dbraw/zinc/12/87/46/722128746.db2.gz PMKVSZGOMQOWRM-RDJZCZTQSA-N 0 1 419.869 2.004 20 5 HEBDMN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000769928737 1078662181 /nfs/dbraw/zinc/66/21/81/1078662181.db2.gz VTYANRAWJFACOY-ZDUSSCGKSA-N 0 1 420.426 2.248 20 5 HEBDMN CCC[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCN1CCOC ZINC000766373021 1078938822 /nfs/dbraw/zinc/93/88/22/1078938822.db2.gz DUXSZNRHCYGBIO-KRWDZBQOSA-N 0 1 405.499 2.227 20 5 HEBDMN O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000770721122 1078948679 /nfs/dbraw/zinc/94/86/79/1078948679.db2.gz TYTSRJBGJLVKTM-UHFFFAOYSA-N 0 1 408.270 2.423 20 5 HEBDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C ZINC000742303635 1076812617 /nfs/dbraw/zinc/81/26/17/1076812617.db2.gz LEKSFRBAJGMNES-MNOVXSKESA-N 0 1 406.302 2.461 20 5 HEBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000785951756 1080314150 /nfs/dbraw/zinc/31/41/50/1080314150.db2.gz YASXMCXNOLELPF-UHFFFAOYSA-N 0 1 409.807 2.356 20 5 HEBDMN O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786261968 1080501005 /nfs/dbraw/zinc/50/10/05/1080501005.db2.gz LQPZBTOOLGJDEH-UHFFFAOYSA-N 0 1 423.357 2.232 20 5 HEBDMN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808575 1080785225 /nfs/dbraw/zinc/78/52/25/1080785225.db2.gz CIHGJNVBHGKQOU-CYBMUJFWSA-N 0 1 419.525 2.085 20 5 HEBDMN CNS(=O)(=O)c1cccc(NC(=O)CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000786817570 1080841532 /nfs/dbraw/zinc/84/15/32/1080841532.db2.gz ZPUJMAYGEDNSDZ-ZROIWOOFSA-N 0 1 418.475 2.135 20 5 HEBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786911766 1080881132 /nfs/dbraw/zinc/88/11/32/1080881132.db2.gz ODAHPCWVOSWJEY-CQSZACIVSA-N 0 1 418.475 2.249 20 5 HEBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164685322 719709443 /nfs/dbraw/zinc/70/94/43/719709443.db2.gz VDDWIFQRHRXNFD-UHFFFAOYSA-N 0 1 417.844 2.369 20 5 HEBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164864640 721020388 /nfs/dbraw/zinc/02/03/88/721020388.db2.gz YSCWZGWNCBPSJR-ZDUSSCGKSA-N 0 1 416.486 2.270 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4Cl)C3)O2)CC1 ZINC001164887340 721383178 /nfs/dbraw/zinc/38/31/78/721383178.db2.gz HRZSSYCXNIRVKL-LPHOPBHVSA-N 0 1 409.918 2.409 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971939 722121548 /nfs/dbraw/zinc/12/15/48/722121548.db2.gz DXEZIAYTRIAZQW-NVXWUHKLSA-N 0 1 419.869 2.004 20 5 HEBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000769899724 1078622282 /nfs/dbraw/zinc/62/22/82/1078622282.db2.gz KFAQESYVXLUCNH-CQSZACIVSA-N 0 1 417.915 2.478 20 5 HEBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000770280200 1078805747 /nfs/dbraw/zinc/80/57/47/1078805747.db2.gz JCENZLSXAVLEEV-UHFFFAOYSA-N 0 1 421.410 2.218 20 5 HEBDMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000746177397 1078811293 /nfs/dbraw/zinc/81/12/93/1078811293.db2.gz LRTDFBQFIHTFHX-MRXNPFEDSA-N 0 1 423.466 2.492 20 5 HEBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1[N+](=O)[O-] ZINC000770645112 1078915548 /nfs/dbraw/zinc/91/55/48/1078915548.db2.gz NDUIZGFMVHIXBC-UHFFFAOYSA-N 0 1 423.838 2.242 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585941 1079382068 /nfs/dbraw/zinc/38/20/68/1079382068.db2.gz PPEPQPAGQPTOBW-NEPJUHHUSA-N 0 1 411.459 2.196 20 5 HEBDMN CC[C@H](C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)N(CC)CC ZINC000741032650 1076331277 /nfs/dbraw/zinc/33/12/77/1076331277.db2.gz LWGAYAMVKIASDH-CQSZACIVSA-N 0 1 409.439 2.358 20 5 HEBDMN O=C(NCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000742273854 1076807747 /nfs/dbraw/zinc/80/77/47/1076807747.db2.gz SUGKABDJPBKQJQ-UHFFFAOYSA-N 0 1 408.219 2.203 20 5 HEBDMN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000745334881 1077805217 /nfs/dbraw/zinc/80/52/17/1077805217.db2.gz YMOJMSXQWPYEGH-VQIMIIECSA-N 0 1 411.458 2.460 20 5 HEBDMN Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000786339682 1080551185 /nfs/dbraw/zinc/55/11/85/1080551185.db2.gz DIHHZUNEBFYBTE-UHFFFAOYSA-N 0 1 415.450 2.255 20 5 HEBDMN CN(CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccc(F)cc1 ZINC000769064971 1080921525 /nfs/dbraw/zinc/92/15/25/1080921525.db2.gz NZNVKWXTBHDQCI-UHFFFAOYSA-N 0 1 415.377 2.005 20 5 HEBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000769187391 1080997927 /nfs/dbraw/zinc/99/79/27/1080997927.db2.gz BZGSJJTXISTXHJ-MRXNPFEDSA-N 0 1 412.431 2.473 20 5 HEBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164765079 721085103 /nfs/dbraw/zinc/08/51/03/721085103.db2.gz IJJOMXDIJUWZQK-CHWSQXEVSA-N 0 1 423.930 2.452 20 5 HEBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765072 721099539 /nfs/dbraw/zinc/09/95/39/721099539.db2.gz IHJNOBVCHZPDGN-VXGBXAGGSA-N 0 1 412.281 2.383 20 5 HEBDMN CSc1nc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764804 721146312 /nfs/dbraw/zinc/14/63/12/721146312.db2.gz IAEYZBOGYCWDRS-STQMWFEESA-N 0 1 423.930 2.452 20 5 HEBDMN Cc1c(C)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890915 721418378 /nfs/dbraw/zinc/41/83/78/721418378.db2.gz UIBZRWWTMSXGGI-WIYYLYMNSA-N 0 1 403.527 2.372 20 5 HEBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906393 721533769 /nfs/dbraw/zinc/53/37/69/721533769.db2.gz KRXPSWSEXMSPIN-GDBMZVCRSA-N 0 1 403.414 2.183 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981535 722105393 /nfs/dbraw/zinc/10/53/93/722105393.db2.gz LQELSINJCYRXQQ-HOTGVXAUSA-N 0 1 418.885 2.469 20 5 HEBDMN COC(=O)C[C@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001169407759 1079253489 /nfs/dbraw/zinc/25/34/89/1079253489.db2.gz ILZXHBHKXCNGHK-FQEVSTJZSA-N 0 1 416.434 2.395 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000741416068 1076516025 /nfs/dbraw/zinc/51/60/25/1076516025.db2.gz DQNPMVPIEOPIGC-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000741416068 1076516031 /nfs/dbraw/zinc/51/60/31/1076516031.db2.gz DQNPMVPIEOPIGC-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000741625816 1076570580 /nfs/dbraw/zinc/57/05/80/1076570580.db2.gz SUQNUMRGSCEXRS-LLVKDONJSA-N 0 1 403.220 2.366 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742286039 1076815934 /nfs/dbraw/zinc/81/59/34/1076815934.db2.gz WPTVYNVWJWKXNA-QWRGUYRKSA-N 0 1 410.279 2.043 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742286039 1076815937 /nfs/dbraw/zinc/81/59/37/1076815937.db2.gz WPTVYNVWJWKXNA-QWRGUYRKSA-N 0 1 410.279 2.043 20 5 HEBDMN CCOC(=O)COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000785515326 1080030255 /nfs/dbraw/zinc/03/02/55/1080030255.db2.gz NQXVRWRCCLNBHG-UHFFFAOYSA-N 0 1 422.415 2.424 20 5 HEBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC[C@H](C)CO)cc2)cc1[N+](=O)[O-] ZINC000785545734 1080052127 /nfs/dbraw/zinc/05/21/27/1080052127.db2.gz VKZAFLLHUSNCJD-GFCCVEGCSA-N 0 1 408.432 2.489 20 5 HEBDMN CS(=O)(=O)Nc1ccc(N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000767750563 1080066764 /nfs/dbraw/zinc/06/67/64/1080066764.db2.gz JCYSFTJNPSBURE-UHFFFAOYSA-N 0 1 420.491 2.167 20 5 HEBDMN Cc1c(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785809732 1080253973 /nfs/dbraw/zinc/25/39/73/1080253973.db2.gz DNFKYOQLBCXXMR-LBPRGKRZSA-N 0 1 406.439 2.445 20 5 HEBDMN CN1C[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590619 1080260570 /nfs/dbraw/zinc/26/05/70/1080260570.db2.gz NEXNJDARSOMSGU-LBPRGKRZSA-N 0 1 403.220 2.269 20 5 HEBDMN CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000786895868 1080873703 /nfs/dbraw/zinc/87/37/03/1080873703.db2.gz FCCDENNYBXPRFJ-UHFFFAOYSA-N 0 1 410.882 2.192 20 5 HEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000746670005 1081105900 /nfs/dbraw/zinc/10/59/00/1081105900.db2.gz GWBIBHRBGVANSW-UHFFFAOYSA-N 0 1 416.257 2.044 20 5 HEBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738531 720687571 /nfs/dbraw/zinc/68/75/71/720687571.db2.gz KJSFIVZQHZIYOX-MNOVXSKESA-N 0 1 411.249 2.429 20 5 HEBDMN Cc1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870066 721046994 /nfs/dbraw/zinc/04/69/94/721046994.db2.gz VPWUKBCSQXRTDT-CABCVRRESA-N 0 1 404.858 2.221 20 5 HEBDMN CSc1nc(Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764795 721145973 /nfs/dbraw/zinc/14/59/73/721145973.db2.gz IAEYZBOGYCWDRS-CHWSQXEVSA-N 0 1 423.930 2.452 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894495 721383453 /nfs/dbraw/zinc/38/34/53/721383453.db2.gz YJYZUUZDADESFL-QFBILLFUSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890764 721424203 /nfs/dbraw/zinc/42/42/03/721424203.db2.gz FGUFFNBEXYQONY-HRAATJIYSA-N 0 1 414.510 2.237 20 5 HEBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333290 1078603757 /nfs/dbraw/zinc/60/37/57/1078603757.db2.gz SMHQXYSHVBPZPK-JKSUJKDBSA-N 0 1 413.496 2.404 20 5 HEBDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508940 1079365610 /nfs/dbraw/zinc/36/56/10/1079365610.db2.gz HRHYOSAPVZBTKM-UHFFFAOYSA-N 0 1 400.420 2.012 20 5 HEBDMN O=C(Nc1nc(Br)ccc1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000771574902 1079377527 /nfs/dbraw/zinc/37/75/27/1079377527.db2.gz HMSLTENMCTVBIR-UHFFFAOYSA-N 0 1 405.168 2.291 20 5 HEBDMN CN1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742396976 1076834222 /nfs/dbraw/zinc/83/42/22/1076834222.db2.gz IGMPTPCQAKOGAL-UHFFFAOYSA-N 0 1 412.450 2.310 20 5 HEBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000743267039 1077018602 /nfs/dbraw/zinc/01/86/02/1077018602.db2.gz XTCBLJMMVFAYQD-UHFFFAOYSA-N 0 1 411.348 2.099 20 5 HEBDMN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000767869602 1080192345 /nfs/dbraw/zinc/19/23/45/1080192345.db2.gz YHCCFORAMUDDOY-AWEZNQCLSA-N 0 1 417.915 2.219 20 5 HEBDMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000768251292 1080441382 /nfs/dbraw/zinc/44/13/82/1080441382.db2.gz HTVUYMCNUUXUHX-UHFFFAOYSA-N 0 1 413.839 2.134 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)cc([N+](=O)[O-])c1F ZINC000768272460 1080454634 /nfs/dbraw/zinc/45/46/34/1080454634.db2.gz PJWGUUBBPKWGOM-UHFFFAOYSA-N 0 1 419.394 2.128 20 5 HEBDMN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808579 1080785408 /nfs/dbraw/zinc/78/54/08/1080785408.db2.gz CIHGJNVBHGKQOU-ZDUSSCGKSA-N 0 1 419.525 2.085 20 5 HEBDMN Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768881990 1080830603 /nfs/dbraw/zinc/83/06/03/1080830603.db2.gz PCFNKQOLZMSHGG-UHFFFAOYSA-N 0 1 411.461 2.238 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984381 722107855 /nfs/dbraw/zinc/10/78/55/722107855.db2.gz SYIIHAVJTBUPPC-QAPCUYQASA-N 0 1 414.422 2.020 20 5 HEBDMN COc1ccc([N+](=O)[O-])cc1OCc1cc2ccccc2nc1-n1nnnc1CN ZINC001168920214 1079075843 /nfs/dbraw/zinc/07/58/43/1079075843.db2.gz AXRWAQAAIAZUEF-UHFFFAOYSA-N 0 1 407.390 2.165 20 5 HEBDMN CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011886 1079099063 /nfs/dbraw/zinc/09/90/63/1079099063.db2.gz NDYYPEFYDUKXQK-ZOFXXKQRSA-N 0 1 411.499 2.305 20 5 HEBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)c1 ZINC001169149878 1079166601 /nfs/dbraw/zinc/16/66/01/1079166601.db2.gz PCRDJVCSXUADIM-QGZVFWFLSA-N 0 1 406.446 2.488 20 5 HEBDMN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000742305623 1076813274 /nfs/dbraw/zinc/81/32/74/1076813274.db2.gz WZVQKJMLFKPSSB-CMPLNLGQSA-N 0 1 406.302 2.318 20 5 HEBDMN O=C1OCCN1c1cccc2c1CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000743857414 1077144249 /nfs/dbraw/zinc/14/42/49/1077144249.db2.gz AYXFHJRCUWJACR-QGZVFWFLSA-N 0 1 413.430 2.349 20 5 HEBDMN C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432440 1079861032 /nfs/dbraw/zinc/86/10/32/1079861032.db2.gz FVDVHNNSRIVVOD-PXNSSMCTSA-N 0 1 412.494 2.023 20 5 HEBDMN CN(C(=O)COC(=O)CC1(N2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000786097382 1080392703 /nfs/dbraw/zinc/39/27/03/1080392703.db2.gz VRIXMIHFSMRXDP-UHFFFAOYSA-N 0 1 405.451 2.136 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc([N+](=O)[O-])c1F ZINC000768286075 1080458542 /nfs/dbraw/zinc/45/85/42/1080458542.db2.gz VHGRTOMCEMECFO-UHFFFAOYSA-N 0 1 400.409 2.173 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893624 721382533 /nfs/dbraw/zinc/38/25/33/721382533.db2.gz WFUALQAHCHXXRM-APWZRJJASA-N 0 1 409.918 2.409 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164889825 721392290 /nfs/dbraw/zinc/39/22/90/721392290.db2.gz MNMVTBVZEWURNW-HNAYVOBHSA-N 0 1 424.933 2.112 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164888200 721417564 /nfs/dbraw/zinc/41/75/64/721417564.db2.gz NLWKFCRAHYASRQ-WIYYLYMNSA-N 0 1 403.527 2.372 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890767 721425093 /nfs/dbraw/zinc/42/50/93/721425093.db2.gz FGUFFNBEXYQONY-KKSFZXQISA-N 0 1 414.510 2.237 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904007 721543617 /nfs/dbraw/zinc/54/36/17/721543617.db2.gz FCJSCFCMFFQPNN-GOEBONIOSA-N 0 1 408.817 2.363 20 5 HEBDMN COc1cc(C(=O)OCc2ccccc2[N+](=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC000745536840 1078527507 /nfs/dbraw/zinc/52/75/07/1078527507.db2.gz HDFYEBDQSOUVLQ-UHFFFAOYSA-N 0 1 410.404 2.341 20 5 HEBDMN COc1nc(C(=O)OCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000770509736 1078871393 /nfs/dbraw/zinc/87/13/93/1078871393.db2.gz XUSMBVCMYDZBCU-UHFFFAOYSA-N 0 1 415.305 2.109 20 5 HEBDMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000771575443 1079378017 /nfs/dbraw/zinc/37/80/17/1079378017.db2.gz GVUBQKLBQKXJOH-QGZVFWFLSA-N 0 1 422.401 2.101 20 5 HEBDMN O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NCc1ccccc1 ZINC000742277548 1076808989 /nfs/dbraw/zinc/80/89/89/1076808989.db2.gz ZFLYIFFXXXOKGD-UHFFFAOYSA-N 0 1 418.258 2.496 20 5 HEBDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000742304111 1076812634 /nfs/dbraw/zinc/81/26/34/1076812634.db2.gz PCRHQTJEMYNVGR-MNOVXSKESA-N 0 1 406.302 2.461 20 5 HEBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000742397419 1076834438 /nfs/dbraw/zinc/83/44/38/1076834438.db2.gz FJZCKLLRPNGZQD-UHFFFAOYSA-N 0 1 404.467 2.490 20 5 HEBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000743266721 1077018611 /nfs/dbraw/zinc/01/86/11/1077018611.db2.gz QGPPGPNNTCTZKE-UHFFFAOYSA-N 0 1 421.387 2.139 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc([N+](=O)[O-])c1F ZINC000768273601 1080454450 /nfs/dbraw/zinc/45/44/50/1080454450.db2.gz MCGMWMJWISAAKK-UHFFFAOYSA-N 0 1 421.406 2.492 20 5 HEBDMN O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768779448 1080793352 /nfs/dbraw/zinc/79/33/52/1080793352.db2.gz DCAWFJMVWIWARR-QGZVFWFLSA-N 0 1 407.423 2.203 20 5 HEBDMN O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768779448 1080793360 /nfs/dbraw/zinc/79/33/60/1080793360.db2.gz DCAWFJMVWIWARR-QGZVFWFLSA-N 0 1 407.423 2.203 20 5 HEBDMN O=C(c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC[C@H](O)C1 ZINC000768884008 1080831655 /nfs/dbraw/zinc/83/16/55/1080831655.db2.gz PKDVUCUHDLUSAF-ZDUSSCGKSA-N 0 1 411.461 2.054 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cs1 ZINC000768890777 1080835677 /nfs/dbraw/zinc/83/56/77/1080835677.db2.gz XUUWOCUUCSVULF-UHFFFAOYSA-N 0 1 410.412 2.449 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncccc2I)cs1 ZINC000768862542 1080842952 /nfs/dbraw/zinc/84/29/52/1080842952.db2.gz LWLNMFLXIQVSMB-UHFFFAOYSA-N 0 1 411.202 2.457 20 5 HEBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000786865405 1080859953 /nfs/dbraw/zinc/85/99/53/1080859953.db2.gz NXIBVFRSMSSIHA-UHFFFAOYSA-N 0 1 410.434 2.180 20 5 HEBDMN CN(CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000769070328 1080924401 /nfs/dbraw/zinc/92/44/01/1080924401.db2.gz RCZAYGJYMRYVMY-UHFFFAOYSA-N 0 1 417.393 2.135 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164888865 721402463 /nfs/dbraw/zinc/40/24/63/721402463.db2.gz PACDRZVZQZUBIP-APWZRJJASA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883645 721420694 /nfs/dbraw/zinc/42/06/94/721420694.db2.gz BPTJPHFHKHFNSI-IERDGZPVSA-N 0 1 414.510 2.237 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4cc2[N+](=O)[O-])CC3)CC1 ZINC001164797870 721516499 /nfs/dbraw/zinc/51/64/99/721516499.db2.gz PMOQCYNCVBPADW-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983424 722100481 /nfs/dbraw/zinc/10/04/81/722100481.db2.gz QAPUBGXYWPAGGK-HOCLYGCPSA-N 0 1 404.858 2.161 20 5 HEBDMN COc1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164971418 722112583 /nfs/dbraw/zinc/11/25/83/722112583.db2.gz CKBFMQDRFQBUDM-HKUYNNGSSA-N 0 1 413.478 2.429 20 5 HEBDMN C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N(C)C ZINC000745730673 1078619089 /nfs/dbraw/zinc/61/90/89/1078619089.db2.gz QDYRPQSRFLFVQE-LBPRGKRZSA-N 0 1 421.431 2.029 20 5 HEBDMN Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000770299606 1078822190 /nfs/dbraw/zinc/82/21/90/1078822190.db2.gz MDXOCADQPBTOSI-UHFFFAOYSA-N 0 1 418.947 2.251 20 5 HEBDMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000771575440 1079377945 /nfs/dbraw/zinc/37/79/45/1079377945.db2.gz GVUBQKLBQKXJOH-KRWDZBQOSA-N 0 1 422.401 2.101 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585943 1079381991 /nfs/dbraw/zinc/38/19/91/1079381991.db2.gz PPEPQPAGQPTOBW-RYUDHWBXSA-N 0 1 411.459 2.196 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585944 1079382016 /nfs/dbraw/zinc/38/20/16/1079382016.db2.gz PPEPQPAGQPTOBW-VXGBXAGGSA-N 0 1 411.459 2.196 20 5 HEBDMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737291224 1075895317 /nfs/dbraw/zinc/89/53/17/1075895317.db2.gz XCBSUTOTOJUPBV-UHFFFAOYSA-N 0 1 418.772 2.427 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737291224 1075895320 /nfs/dbraw/zinc/89/53/20/1075895320.db2.gz XCBSUTOTOJUPBV-UHFFFAOYSA-N 0 1 418.772 2.427 20 5 HEBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000742293441 1076819847 /nfs/dbraw/zinc/81/98/47/1076819847.db2.gz HGYQMCJILCAHQV-NSHDSACASA-N 0 1 404.286 2.120 20 5 HEBDMN COc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000744550920 1077463945 /nfs/dbraw/zinc/46/39/45/1077463945.db2.gz PRYLYPOVRRWYCO-UHFFFAOYSA-N 0 1 410.404 2.211 20 5 HEBDMN Cc1cc(S(=O)(=O)NCC2(N(C)C)Cc3ccccc3C2)cc([N+](=O)[O-])c1F ZINC000771762327 1079515593 /nfs/dbraw/zinc/51/55/93/1079515593.db2.gz OSGAMPFEWKXCOL-UHFFFAOYSA-N 0 1 407.467 2.420 20 5 HEBDMN CS(=O)(=O)Nc1ccc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000767744134 1080062265 /nfs/dbraw/zinc/06/22/65/1080062265.db2.gz JWHWAEUPJFGTEJ-UHFFFAOYSA-N 0 1 404.492 2.331 20 5 HEBDMN O=c1[nH]nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786549771 1080679730 /nfs/dbraw/zinc/67/97/30/1080679730.db2.gz BBNSFIAEJCXFKH-MRVPVSSYSA-N 0 1 422.341 2.361 20 5 HEBDMN O=c1[nH]nc([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786549778 1080679799 /nfs/dbraw/zinc/67/97/99/1080679799.db2.gz BBNSFIAEJCXFKH-QMMMGPOBSA-N 0 1 422.341 2.361 20 5 HEBDMN C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)n1cncn1 ZINC000768867200 1080824335 /nfs/dbraw/zinc/82/43/35/1080824335.db2.gz YBMKLCIHGWWKDL-SNVBAGLBSA-N 0 1 422.448 2.248 20 5 HEBDMN COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCCN(Cc2ccccc2)C1 ZINC000787111946 1081005505 /nfs/dbraw/zinc/00/55/05/1081005505.db2.gz BCBMTXUBZJQIRP-OAQYLSRUSA-N 0 1 412.446 2.115 20 5 HEBDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164686187 719700140 /nfs/dbraw/zinc/70/01/40/719700140.db2.gz XVULHIZRFQQMCK-UHFFFAOYSA-N 0 1 417.844 2.369 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888498 721391103 /nfs/dbraw/zinc/39/11/03/721391103.db2.gz JOJBNFHFHKBQFS-BEFAXECRSA-N 0 1 409.918 2.409 20 5 HEBDMN COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164896815 721524360 /nfs/dbraw/zinc/52/43/60/721524360.db2.gz BNIPHSZICCEMBD-WBVHZDCISA-N 0 1 416.409 2.257 20 5 HEBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000770298640 1078821497 /nfs/dbraw/zinc/82/14/97/1078821497.db2.gz MJRBJPFIJKXXRE-UHFFFAOYSA-N 0 1 418.947 2.251 20 5 HEBDMN Cc1cccc2nc(CNC(=O)c3c4c(cc([N+](=O)[O-])c3[N+](=O)[O-])OCCO4)[nH]c21 ZINC000766555944 1079089478 /nfs/dbraw/zinc/08/94/78/1079089478.db2.gz LXLILMHZLPUNPT-UHFFFAOYSA-N 0 1 413.346 2.389 20 5 HEBDMN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000771754041 1079484399 /nfs/dbraw/zinc/48/43/99/1079484399.db2.gz XZSSIHXCQBZQJV-MRXNPFEDSA-N 0 1 412.395 2.244 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737271033 1075899021 /nfs/dbraw/zinc/89/90/21/1075899021.db2.gz UJDYHNWAZRVOLB-UHFFFAOYSA-N 0 1 400.782 2.288 20 5 HEBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737271033 1075899022 /nfs/dbraw/zinc/89/90/22/1075899022.db2.gz UJDYHNWAZRVOLB-UHFFFAOYSA-N 0 1 400.782 2.288 20 5 HEBDMN C[C@H]1CCCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759134 1076617721 /nfs/dbraw/zinc/61/77/21/1076617721.db2.gz XOSNVFGBZVGZQG-NSHDSACASA-N 0 1 406.302 2.368 20 5 HEBDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C ZINC000742303634 1076812579 /nfs/dbraw/zinc/81/25/79/1076812579.db2.gz LEKSFRBAJGMNES-GHMZBOCLSA-N 0 1 406.302 2.461 20 5 HEBDMN Cc1cc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000743778829 1077110846 /nfs/dbraw/zinc/11/08/46/1077110846.db2.gz PBWBPBMSEAYKGA-UHFFFAOYSA-N 0 1 413.478 2.364 20 5 HEBDMN COC(=O)c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000766324360 1077749386 /nfs/dbraw/zinc/74/93/86/1077749386.db2.gz ZYUXYZXFQTXUFZ-UHFFFAOYSA-N 0 1 409.376 2.274 20 5 HEBDMN Cc1cc(C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804345867 1079586383 /nfs/dbraw/zinc/58/63/83/1079586383.db2.gz SWDUCCBSAZQNLE-UHFFFAOYSA-N 0 1 411.506 2.375 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000767315367 1079814981 /nfs/dbraw/zinc/81/49/81/1079814981.db2.gz NRXIUZAJXDQFKF-VXGBXAGGSA-N 0 1 424.342 2.023 20 5 HEBDMN O=C(COC(=O)c1cccc2[nH]ncc21)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000785595819 1080067802 /nfs/dbraw/zinc/06/78/02/1080067802.db2.gz VFXVHGWZZUPLET-UHFFFAOYSA-N 0 1 412.358 2.428 20 5 HEBDMN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000768499751 1080594844 /nfs/dbraw/zinc/59/48/44/1080594844.db2.gz SGXJBEOGKDCFJL-UHFFFAOYSA-N 0 1 405.230 2.001 20 5 HEBDMN Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1C(=O)N1CCOCC1 ZINC000768882967 1080831234 /nfs/dbraw/zinc/83/12/34/1080831234.db2.gz RQBMYICFCCCOJE-UHFFFAOYSA-N 0 1 411.461 2.238 20 5 HEBDMN NC(=O)C1CCN(c2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000768863432 1080843538 /nfs/dbraw/zinc/84/35/38/1080843538.db2.gz VRDXAAHVIFLTOO-UHFFFAOYSA-N 0 1 410.477 2.159 20 5 HEBDMN O=C(N[C@H](CCO)C1CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769409253 1081065788 /nfs/dbraw/zinc/06/57/88/1081065788.db2.gz BINSTAOHUKACSE-GOSISDBHSA-N 0 1 419.459 2.286 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164886238 721383541 /nfs/dbraw/zinc/38/35/41/721383541.db2.gz DRBMNRUWIQHAID-KXBFYZLASA-N 0 1 409.918 2.409 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900546 721523798 /nfs/dbraw/zinc/52/37/98/721523798.db2.gz SDZAIYDUYAOOAC-GOEBONIOSA-N 0 1 403.370 2.379 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904009 721543368 /nfs/dbraw/zinc/54/33/68/721543368.db2.gz FCJSCFCMFFQPNN-ZBFHGGJFSA-N 0 1 408.817 2.363 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981537 722105024 /nfs/dbraw/zinc/10/50/24/722105024.db2.gz LQELSINJCYRXQQ-HZPDHXFCSA-N 0 1 418.885 2.469 20 5 HEBDMN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746430062 1078943340 /nfs/dbraw/zinc/94/33/40/1078943340.db2.gz PRAHIQZCVNRFRP-INIZCTEOSA-N 0 1 420.491 2.463 20 5 HEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000766498965 1079041119 /nfs/dbraw/zinc/04/11/19/1079041119.db2.gz VRDIJSWICVIGQV-OAHLLOKOSA-N 0 1 420.491 2.065 20 5 HEBDMN CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011885 1079099095 /nfs/dbraw/zinc/09/90/95/1079099095.db2.gz NDYYPEFYDUKXQK-QUSNUVHPSA-N 0 1 411.499 2.305 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000771585942 1079382121 /nfs/dbraw/zinc/38/21/21/1079382121.db2.gz PPEPQPAGQPTOBW-NWDGAFQWSA-N 0 1 411.459 2.196 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000741417249 1076515957 /nfs/dbraw/zinc/51/59/57/1076515957.db2.gz YBEZHJCWOZULHK-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000741417249 1076515971 /nfs/dbraw/zinc/51/59/71/1076515971.db2.gz YBEZHJCWOZULHK-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C ZINC000742304047 1076812625 /nfs/dbraw/zinc/81/26/25/1076812625.db2.gz MKKOJRFLTCWHRS-PWSUYJOCSA-N 0 1 406.302 2.461 20 5 HEBDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C ZINC000742303636 1076812771 /nfs/dbraw/zinc/81/27/71/1076812771.db2.gz LEKSFRBAJGMNES-QWRGUYRKSA-N 0 1 406.302 2.461 20 5 HEBDMN COc1cccc2cc(CNCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000742697251 1076867879 /nfs/dbraw/zinc/86/78/79/1076867879.db2.gz YCHAOADNKFHUPE-UHFFFAOYSA-N 0 1 405.432 2.418 20 5 HEBDMN C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1n1ccnc1 ZINC000767432429 1079861006 /nfs/dbraw/zinc/86/10/06/1079861006.db2.gz FVDVHNNSRIVVOD-FXAWDEMLSA-N 0 1 412.494 2.023 20 5 HEBDMN C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1n1ccnc1 ZINC000767432453 1079861051 /nfs/dbraw/zinc/86/10/51/1079861051.db2.gz FVDVHNNSRIVVOD-XLIONFOSSA-N 0 1 412.494 2.023 20 5 HEBDMN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768173004 1080385608 /nfs/dbraw/zinc/38/56/08/1080385608.db2.gz SRUPTQPINJYQNI-UHFFFAOYSA-N 0 1 400.435 2.208 20 5 HEBDMN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768713721 1080729854 /nfs/dbraw/zinc/72/98/54/1080729854.db2.gz ZGBPAJDBVUKYQB-UHFFFAOYSA-N 0 1 418.885 2.370 20 5 HEBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCCN2CCOCC2)CC1 ZINC000786800288 1080833991 /nfs/dbraw/zinc/83/39/91/1080833991.db2.gz QEXWPQYHIWBMBS-UHFFFAOYSA-N 0 1 411.524 2.327 20 5 HEBDMN COc1cc2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2cc1[N+](=O)[O-] ZINC001164730371 720566632 /nfs/dbraw/zinc/56/66/32/720566632.db2.gz VCAGDVCBKLPUJO-UHFFFAOYSA-N 0 1 423.477 2.402 20 5 HEBDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765053 721099383 /nfs/dbraw/zinc/09/93/83/721099383.db2.gz IHJNOBVCHZPDGN-NEPJUHHUSA-N 0 1 412.281 2.383 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893627 721382238 /nfs/dbraw/zinc/38/22/38/721382238.db2.gz WFUALQAHCHXXRM-VQIMIIECSA-N 0 1 409.918 2.409 20 5 HEBDMN Cc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164794160 721510466 /nfs/dbraw/zinc/51/04/66/721510466.db2.gz IFIAGAYIWZTBEG-UHFFFAOYSA-N 0 1 421.505 2.416 20 5 HEBDMN CC(C)Oc1nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)ccc1[N+](=O)[O-] ZINC001165011551 721746626 /nfs/dbraw/zinc/74/66/26/721746626.db2.gz YWLHLLRRUNHNFD-UHFFFAOYSA-N 0 1 405.499 2.300 20 5 HEBDMN C[C@H](CCN1CCN(C)CC1)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000770223772 1078773191 /nfs/dbraw/zinc/77/31/91/1078773191.db2.gz RLURPCKGXBXZHH-GFCCVEGCSA-N 0 1 424.445 2.326 20 5 HEBDMN COc1ccc(NC(=O)CCN[C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001169698160 1079366482 /nfs/dbraw/zinc/36/64/82/1079366482.db2.gz QMYVYJQOUXFPJP-FQEVSTJZSA-N 0 1 401.419 2.192 20 5 HEBDMN CN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000741625818 1076570546 /nfs/dbraw/zinc/57/05/46/1076570546.db2.gz SUQNUMRGSCEXRS-NSHDSACASA-N 0 1 403.220 2.366 20 5 HEBDMN COC(=O)N1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000742287300 1076817100 /nfs/dbraw/zinc/81/71/00/1076817100.db2.gz DEWGOKOTMIJDNG-SECBINFHSA-N 0 1 412.251 2.411 20 5 HEBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000742289721 1076817972 /nfs/dbraw/zinc/81/79/72/1076817972.db2.gz LJMLXVXOBDABRE-LBPRGKRZSA-N 0 1 404.286 2.216 20 5 HEBDMN O=C(CC1(N2CCOCC2)CCCC1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000786096483 1080391206 /nfs/dbraw/zinc/39/12/06/1080391206.db2.gz BNXSSGSBVNTFGE-UHFFFAOYSA-N 0 1 417.462 2.062 20 5 HEBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)c1[N+](=O)[O-] ZINC000768278588 1080481727 /nfs/dbraw/zinc/48/17/27/1080481727.db2.gz FNMQBKGBLWYUIN-KRWDZBQOSA-N 0 1 412.450 2.473 20 5 HEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768780245 1080794145 /nfs/dbraw/zinc/79/41/45/1080794145.db2.gz PPHJKWSLLBOHSO-KRWDZBQOSA-N 0 1 403.460 2.373 20 5 HEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768780245 1080794154 /nfs/dbraw/zinc/79/41/54/1080794154.db2.gz PPHJKWSLLBOHSO-KRWDZBQOSA-N 0 1 403.460 2.373 20 5 HEBDMN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000768869113 1080825124 /nfs/dbraw/zinc/82/51/24/1080825124.db2.gz SUUKPDIXUNTUII-UHFFFAOYSA-N 0 1 419.868 2.299 20 5 HEBDMN O=C1CCCC(=O)N1Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768889705 1080834985 /nfs/dbraw/zinc/83/49/85/1080834985.db2.gz IMTLKXNTDGWSRA-UHFFFAOYSA-N 0 1 409.445 2.496 20 5 HEBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164855576 720930643 /nfs/dbraw/zinc/93/06/43/720930643.db2.gz IROGPBKBNGDOPG-ZDUSSCGKSA-N 0 1 402.455 2.394 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894497 721383303 /nfs/dbraw/zinc/38/33/03/721383303.db2.gz YJYZUUZDADESFL-VQIMIIECSA-N 0 1 409.918 2.409 20 5 HEBDMN COc1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886604 721406714 /nfs/dbraw/zinc/40/67/14/721406714.db2.gz KHEIKKROCKOCGX-DYESRHJHSA-N 0 1 419.526 2.072 20 5 HEBDMN COC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164904725 721539394 /nfs/dbraw/zinc/53/93/94/721539394.db2.gz GEKHYKAVSSVXNZ-GDBMZVCRSA-N 0 1 416.409 2.257 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904008 721543028 /nfs/dbraw/zinc/54/30/28/721543028.db2.gz FCJSCFCMFFQPNN-HOCLYGCPSA-N 0 1 408.817 2.363 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984380 722108024 /nfs/dbraw/zinc/10/80/24/722108024.db2.gz SYIIHAVJTBUPPC-MAUKXSAKSA-N 0 1 414.422 2.020 20 5 HEBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000769674130 1078514491 /nfs/dbraw/zinc/51/44/91/1078514491.db2.gz SZMFBPBLDSTYHB-UHFFFAOYSA-N 0 1 418.424 2.085 20 5 HEBDMN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000770221463 1078772544 /nfs/dbraw/zinc/77/25/44/1078772544.db2.gz CHQCDGHJNQWXNE-LBPRGKRZSA-N 0 1 406.455 2.029 20 5 HEBDMN O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740153029 1076111399 /nfs/dbraw/zinc/11/13/99/1076111399.db2.gz JZJFJBBDZUSKHC-CQSZACIVSA-N 0 1 418.793 2.359 20 5 HEBDMN O=[N+]([O-])c1cn(CN2CCC(CCN3CCOCC3)CC2)nc1-c1ccncc1 ZINC000742149397 1076765487 /nfs/dbraw/zinc/76/54/87/1076765487.db2.gz IWQGFRSAVKOTTK-UHFFFAOYSA-N 0 1 400.483 2.245 20 5 HEBDMN COC(=O)N1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000742282079 1076815006 /nfs/dbraw/zinc/81/50/06/1076815006.db2.gz XYELOXPLLCVPTO-UHFFFAOYSA-N 0 1 412.251 2.411 20 5 HEBDMN COc1ccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([N+](=O)[O-])c1 ZINC000744408425 1077383376 /nfs/dbraw/zinc/38/33/76/1077383376.db2.gz ZWROEGNJOGQRSJ-ZDUSSCGKSA-N 0 1 403.395 2.472 20 5 HEBDMN COc1ccc(OCCN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c([N+](=O)[O-])c1 ZINC000772350739 1079811295 /nfs/dbraw/zinc/81/12/95/1079811295.db2.gz HZSMAGLADRDKOD-UHFFFAOYSA-N 0 1 416.434 2.020 20 5 HEBDMN CCOC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000785540562 1080049627 /nfs/dbraw/zinc/04/96/27/1080049627.db2.gz ZTFMVTRUOZCZSQ-UHFFFAOYSA-N 0 1 422.415 2.424 20 5 HEBDMN COCCN(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC(C)(C)C ZINC000768039243 1080279935 /nfs/dbraw/zinc/27/99/35/1080279935.db2.gz JDHGWXSXHYUKBW-UHFFFAOYSA-N 0 1 407.427 2.084 20 5 HEBDMN O=C(CC1(N2CCOCC2)CCCC1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000786097593 1080392735 /nfs/dbraw/zinc/39/27/35/1080392735.db2.gz LHOABNDESVTOSL-GOSISDBHSA-N 0 1 417.462 2.278 20 5 HEBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cs1 ZINC000768883226 1080831280 /nfs/dbraw/zinc/83/12/80/1080831280.db2.gz YIQGATYTRPYGBP-UHFFFAOYSA-N 0 1 421.453 2.136 20 5 HEBDMN CN(CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccc(F)cc1 ZINC000769035074 1080891136 /nfs/dbraw/zinc/89/11/36/1080891136.db2.gz KPUXKUMEZCGPRG-UHFFFAOYSA-N 0 1 415.377 2.005 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740060 720661373 /nfs/dbraw/zinc/66/13/73/720661373.db2.gz PLFNSCWXJBVNDM-QWRGUYRKSA-N 0 1 411.249 2.429 20 5 HEBDMN COC(=O)c1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164862798 720969953 /nfs/dbraw/zinc/96/99/53/720969953.db2.gz UQQMIOGYVKSTCY-ZDUSSCGKSA-N 0 1 402.455 2.394 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863607 721021600 /nfs/dbraw/zinc/02/16/00/721021600.db2.gz UMJPUZCHPYIXRB-ZDUSSCGKSA-N 0 1 402.455 2.394 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888505 721391270 /nfs/dbraw/zinc/39/12/70/721391270.db2.gz JOJBNFHFHKBQFS-KXBFYZLASA-N 0 1 409.918 2.409 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164888193 721417444 /nfs/dbraw/zinc/41/74/44/721417444.db2.gz NLWKFCRAHYASRQ-GHTZIAJQSA-N 0 1 403.527 2.372 20 5 HEBDMN CCc1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000743344228 1077026974 /nfs/dbraw/zinc/02/69/74/1077026974.db2.gz KOEKBCCSDHFQAE-UHFFFAOYSA-N 0 1 403.258 2.430 20 5 HEBDMN COc1ccc(C(=O)NC(=O)CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000744421528 1077385681 /nfs/dbraw/zinc/38/56/81/1077385681.db2.gz JAJDPEDDIWAVRM-UHFFFAOYSA-N 0 1 413.430 2.403 20 5 HEBDMN CN1CCN(c2cccc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)n2)CC1 ZINC000767174226 1079709333 /nfs/dbraw/zinc/70/93/33/1079709333.db2.gz NZAVTLGHEQXKDX-UHFFFAOYSA-N 0 1 407.434 2.384 20 5 HEBDMN O=c1[nH]nc(C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000786554817 1080683973 /nfs/dbraw/zinc/68/39/73/1080683973.db2.gz NCVHUETZVDVMHY-UHFFFAOYSA-N 0 1 404.351 2.064 20 5 HEBDMN O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768808645 1080786704 /nfs/dbraw/zinc/78/67/04/1080786704.db2.gz ZLAMDQHHUJNQNW-LJQANCHMSA-N 0 1 417.487 2.248 20 5 HEBDMN O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768808645 1080786712 /nfs/dbraw/zinc/78/67/12/1080786712.db2.gz ZLAMDQHHUJNQNW-LJQANCHMSA-N 0 1 417.487 2.248 20 5 HEBDMN Cc1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870069 721046541 /nfs/dbraw/zinc/04/65/41/721046541.db2.gz VPWUKBCSQXRTDT-GJZGRUSLSA-N 0 1 404.858 2.221 20 5 HEBDMN COc1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886614 721406770 /nfs/dbraw/zinc/40/67/70/721406770.db2.gz KHEIKKROCKOCGX-UWJYYQICSA-N 0 1 419.526 2.072 20 5 HEBDMN COC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164904726 721539146 /nfs/dbraw/zinc/53/91/46/721539146.db2.gz GEKHYKAVSSVXNZ-GOEBONIOSA-N 0 1 416.409 2.257 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907587 721566753 /nfs/dbraw/zinc/56/67/53/721566753.db2.gz OTSVKSGYKGXQMF-GOEBONIOSA-N 0 1 416.409 2.257 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908439 721584301 /nfs/dbraw/zinc/58/43/01/721584301.db2.gz ZGERYYGNYOWJAO-SFHVURJKSA-N 0 1 405.405 2.361 20 5 HEBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961479 722057586 /nfs/dbraw/zinc/05/75/86/722057586.db2.gz KSOKWSDZLAONQC-UHFFFAOYSA-N 0 1 413.478 2.051 20 5 HEBDMN COc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc(NS(C)(=O)=O)c1OC ZINC000745537666 1078529365 /nfs/dbraw/zinc/52/93/65/1078529365.db2.gz NIYCQKKPELWCOD-UHFFFAOYSA-N 0 1 410.404 2.341 20 5 HEBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333288 1078603521 /nfs/dbraw/zinc/60/35/21/1078603521.db2.gz SMHQXYSHVBPZPK-HZPDHXFCSA-N 0 1 413.496 2.404 20 5 HEBDMN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000770185408 1078752233 /nfs/dbraw/zinc/75/22/33/1078752233.db2.gz BRPNCLJJTHYLGO-UHFFFAOYSA-N 0 1 411.484 2.434 20 5 HEBDMN CN1CCN(CCC(C)(C)Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000770226581 1078775259 /nfs/dbraw/zinc/77/52/59/1078775259.db2.gz DBIZESGPLAREEV-UHFFFAOYSA-N 0 1 420.482 2.419 20 5 HEBDMN CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000746177394 1078811315 /nfs/dbraw/zinc/81/13/15/1078811315.db2.gz LRTDFBQFIHTFHX-INIZCTEOSA-N 0 1 423.466 2.492 20 5 HEBDMN COc1ccc(-c2n[nH]c(CNS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000771754294 1079484451 /nfs/dbraw/zinc/48/44/51/1079484451.db2.gz NLVNAXJHOFFOCD-UHFFFAOYSA-N 0 1 421.410 2.315 20 5 HEBDMN COc1ccc(-c2nc(CNS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000771754294 1079484456 /nfs/dbraw/zinc/48/44/56/1079484456.db2.gz NLVNAXJHOFFOCD-UHFFFAOYSA-N 0 1 421.410 2.315 20 5 HEBDMN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000741258471 1076447056 /nfs/dbraw/zinc/44/70/56/1076447056.db2.gz CQQWKZATQUIROK-LBPRGKRZSA-N 0 1 403.432 2.316 20 5 HEBDMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000742381385 1076832954 /nfs/dbraw/zinc/83/29/54/1076832954.db2.gz XKBHAEKPDACGDN-AWEZNQCLSA-N 0 1 412.899 2.445 20 5 HEBDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000767315783 1079814457 /nfs/dbraw/zinc/81/44/57/1079814457.db2.gz SBZNQZXBTTWPGI-STQMWFEESA-N 0 1 424.342 2.023 20 5 HEBDMN CS(=O)(=O)Nc1ccc(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000767753232 1080086806 /nfs/dbraw/zinc/08/68/06/1080086806.db2.gz LMYPGEXZMYWRFZ-UHFFFAOYSA-N 0 1 420.491 2.167 20 5 HEBDMN O=c1[nH]nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786550901 1080680607 /nfs/dbraw/zinc/68/06/07/1080680607.db2.gz MFIDKEFVOGODTA-MRVPVSSYSA-N 0 1 404.351 2.064 20 5 HEBDMN O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768807872 1080786102 /nfs/dbraw/zinc/78/61/02/1080786102.db2.gz UGHHXNUABCZNKY-INIZCTEOSA-N 0 1 407.423 2.203 20 5 HEBDMN O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768807872 1080786108 /nfs/dbraw/zinc/78/61/08/1080786108.db2.gz UGHHXNUABCZNKY-INIZCTEOSA-N 0 1 407.423 2.203 20 5 HEBDMN NC(=O)C1CCN(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768857847 1080808231 /nfs/dbraw/zinc/80/82/31/1080808231.db2.gz KJMKRHYPICWDFC-UHFFFAOYSA-N 0 1 410.477 2.159 20 5 HEBDMN CN(C1CCN(CCc2ccccn2)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768835246 1080817182 /nfs/dbraw/zinc/81/71/82/1080817182.db2.gz RKHZWQYZHHXHNK-UHFFFAOYSA-N 0 1 410.521 2.379 20 5 HEBDMN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164864639 721019873 /nfs/dbraw/zinc/01/98/73/721019873.db2.gz YSCWZGWNCBPSJR-CYBMUJFWSA-N 0 1 416.486 2.270 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164894492 721383420 /nfs/dbraw/zinc/38/34/20/721383420.db2.gz YJYZUUZDADESFL-APWZRJJASA-N 0 1 409.918 2.409 20 5 HEBDMN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000745491865 1078507255 /nfs/dbraw/zinc/50/72/55/1078507255.db2.gz RGOKDSKNANFOSM-UHFFFAOYSA-N 0 1 409.395 2.476 20 5 HEBDMN COc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc(NS(C)(=O)=O)c1OC ZINC000745538204 1078528739 /nfs/dbraw/zinc/52/87/39/1078528739.db2.gz WNAAAKHUPROMGV-UHFFFAOYSA-N 0 1 416.433 2.402 20 5 HEBDMN CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011884 1079099014 /nfs/dbraw/zinc/09/90/14/1079099014.db2.gz NDYYPEFYDUKXQK-JSRQGNBESA-N 0 1 411.499 2.305 20 5 HEBDMN COc1ccc(NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC001169113349 1079160933 /nfs/dbraw/zinc/16/09/33/1079160933.db2.gz UBPQKZFIIIZXHK-OAHLLOKOSA-N 0 1 408.455 2.435 20 5 HEBDMN CC(C)c1[nH]nc(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000771470431 1079349644 /nfs/dbraw/zinc/34/96/44/1079349644.db2.gz VXXWOIAKMHZGQT-UHFFFAOYSA-N 0 1 424.502 2.066 20 5 HEBDMN COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1OC ZINC000771589130 1079416213 /nfs/dbraw/zinc/41/62/13/1079416213.db2.gz JJMHHUJMBQAJIX-UHFFFAOYSA-N 0 1 414.367 2.339 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741415218 1076514931 /nfs/dbraw/zinc/51/49/31/1076514931.db2.gz BUQTUBDMYKHNQE-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741415218 1076514940 /nfs/dbraw/zinc/51/49/40/1076514940.db2.gz BUQTUBDMYKHNQE-UHFFFAOYSA-N 0 1 407.434 2.412 20 5 HEBDMN CCCc1[nH]nc(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c1[N+](=O)[O-] ZINC000744599804 1077509878 /nfs/dbraw/zinc/50/98/78/1077509878.db2.gz HCJNDYGCSIVGJO-UHFFFAOYSA-N 0 1 409.450 2.303 20 5 HEBDMN O=c1[nH]nc([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786550905 1080680540 /nfs/dbraw/zinc/68/05/40/1080680540.db2.gz MFIDKEFVOGODTA-QMMMGPOBSA-N 0 1 404.351 2.064 20 5 HEBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000768730471 1080757494 /nfs/dbraw/zinc/75/74/94/1080757494.db2.gz DRGQEKKFICEKKZ-UHFFFAOYSA-N 0 1 400.782 2.084 20 5 HEBDMN C[C@@](NS(=O)(=O)c1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000768844991 1080821939 /nfs/dbraw/zinc/82/19/39/1080821939.db2.gz BUDXHFMQXSCVEX-ZDUSSCGKSA-N 0 1 423.394 2.354 20 5 HEBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164765060 721098653 /nfs/dbraw/zinc/09/86/53/721098653.db2.gz IHJNOBVCHZPDGN-NWDGAFQWSA-N 0 1 412.281 2.383 20 5 HEBDMN Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164893566 721382444 /nfs/dbraw/zinc/38/24/44/721382444.db2.gz VEVLZQFEIDCVHP-BEFAXECRSA-N 0 1 424.933 2.112 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164889822 721392258 /nfs/dbraw/zinc/39/22/58/721392258.db2.gz MNMVTBVZEWURNW-BEFAXECRSA-N 0 1 424.933 2.112 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)CC1 ZINC001164794956 721513114 /nfs/dbraw/zinc/51/31/14/721513114.db2.gz ZGTRSKALNPOSRW-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000769899316 1078621132 /nfs/dbraw/zinc/62/11/32/1078621132.db2.gz KFAQESYVXLUCNH-AWEZNQCLSA-N 0 1 417.915 2.478 20 5 HEBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000769883583 1078642158 /nfs/dbraw/zinc/64/21/58/1078642158.db2.gz WQFKPPLIWJULMB-KRWDZBQOSA-N 0 1 421.494 2.150 20 5 HEBDMN COc1cccc2cc(CNCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)oc21 ZINC000742696606 1076868217 /nfs/dbraw/zinc/86/82/17/1076868217.db2.gz DELGXSVLNHSGOT-UHFFFAOYSA-N 0 1 405.432 2.418 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000767315777 1079814421 /nfs/dbraw/zinc/81/44/21/1079814421.db2.gz SBZNQZXBTTWPGI-CHWSQXEVSA-N 0 1 424.342 2.023 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000767315781 1079814494 /nfs/dbraw/zinc/81/44/94/1079814494.db2.gz SBZNQZXBTTWPGI-QWHCGFSZSA-N 0 1 424.342 2.023 20 5 HEBDMN COC(=O)Nc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000767637907 1080008853 /nfs/dbraw/zinc/00/88/53/1080008853.db2.gz PVNBNUGNAFSYRD-UHFFFAOYSA-N 0 1 414.484 2.173 20 5 HEBDMN COCC[S@@](=O)Cc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883431 1080831143 /nfs/dbraw/zinc/83/11/43/1080831143.db2.gz ZPXDQZXDNKRFBS-XMMPIXPASA-N 0 1 404.491 2.352 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867754 721061146 /nfs/dbraw/zinc/06/11/46/721061146.db2.gz KCXFMFASWXKDEN-CABCVRRESA-N 0 1 404.858 2.221 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890765 721424537 /nfs/dbraw/zinc/42/45/37/721424537.db2.gz FGUFFNBEXYQONY-IERDGZPVSA-N 0 1 414.510 2.237 20 5 HEBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)C3)O2)CC1 ZINC001164890766 721425436 /nfs/dbraw/zinc/42/54/36/721425436.db2.gz FGUFFNBEXYQONY-IIBYNOLFSA-N 0 1 414.510 2.237 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164900543 721523627 /nfs/dbraw/zinc/52/36/27/721523627.db2.gz SDZAIYDUYAOOAC-GDBMZVCRSA-N 0 1 403.370 2.379 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164984382 722107733 /nfs/dbraw/zinc/10/77/33/722107733.db2.gz SYIIHAVJTBUPPC-YJBOKZPZSA-N 0 1 414.422 2.020 20 5 HEBDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333284 1078603724 /nfs/dbraw/zinc/60/37/24/1078603724.db2.gz SMHQXYSHVBPZPK-CVEARBPZSA-N 0 1 413.496 2.404 20 5 HEBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000742293440 1076819879 /nfs/dbraw/zinc/81/98/79/1076819879.db2.gz HGYQMCJILCAHQV-LLVKDONJSA-N 0 1 404.286 2.120 20 5 HEBDMN CS[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000742420351 1076836639 /nfs/dbraw/zinc/83/66/39/1076836639.db2.gz BISXTNOETLXPBT-CHWSQXEVSA-N 0 1 402.542 2.131 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])c1F ZINC000768263856 1080448451 /nfs/dbraw/zinc/44/84/51/1080448451.db2.gz XVJGFMGXENEVKW-UHFFFAOYSA-N 0 1 417.440 2.093 20 5 HEBDMN CN(CCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000769068434 1080922680 /nfs/dbraw/zinc/92/26/80/1080922680.db2.gz FIKPOHCKXVDFTQ-UHFFFAOYSA-N 0 1 403.366 2.317 20 5 HEBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738533 720688418 /nfs/dbraw/zinc/68/84/18/720688418.db2.gz KJSFIVZQHZIYOX-QWRGUYRKSA-N 0 1 411.249 2.429 20 5 HEBDMN Cc1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164870075 721046935 /nfs/dbraw/zinc/04/69/35/721046935.db2.gz VPWUKBCSQXRTDT-LSDHHAIUSA-N 0 1 404.858 2.221 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867756 721061304 /nfs/dbraw/zinc/06/13/04/721061304.db2.gz KCXFMFASWXKDEN-HUUCEWRRSA-N 0 1 404.858 2.221 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867755 721061617 /nfs/dbraw/zinc/06/16/17/721061617.db2.gz KCXFMFASWXKDEN-GJZGRUSLSA-N 0 1 404.858 2.221 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164900548 721523892 /nfs/dbraw/zinc/52/38/92/721523892.db2.gz SDZAIYDUYAOOAC-HOCLYGCPSA-N 0 1 403.370 2.379 20 5 HEBDMN O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164984379 722107958 /nfs/dbraw/zinc/10/79/58/722107958.db2.gz SYIIHAVJTBUPPC-CRAIPNDOSA-N 0 1 414.422 2.020 20 5 HEBDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000766333286 1078603468 /nfs/dbraw/zinc/60/34/68/1078603468.db2.gz SMHQXYSHVBPZPK-HOTGVXAUSA-N 0 1 413.496 2.404 20 5 HEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)c2ncccc12 ZINC000766482507 1079034455 /nfs/dbraw/zinc/03/44/55/1079034455.db2.gz PFCUZLQLKFHPDO-UHFFFAOYSA-N 0 1 410.415 2.407 20 5 HEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c2ncccc12 ZINC000766482507 1079034462 /nfs/dbraw/zinc/03/44/62/1079034462.db2.gz PFCUZLQLKFHPDO-UHFFFAOYSA-N 0 1 410.415 2.407 20 5 HEBDMN COC(=O)COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001169072894 1079124946 /nfs/dbraw/zinc/12/49/46/1079124946.db2.gz OVMKIQGGIZMYFC-ZDUSSCGKSA-N 0 1 417.418 2.445 20 5 HEBDMN CCOc1cc(N2CCN(C[C@H](O)CC3(CO)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001169908779 1079473329 /nfs/dbraw/zinc/47/33/29/1079473329.db2.gz UTSAMTYSFDQAMF-GOSISDBHSA-N 0 1 407.511 2.419 20 5 HEBDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C ZINC000742304045 1076812556 /nfs/dbraw/zinc/81/25/56/1076812556.db2.gz MKKOJRFLTCWHRS-CMPLNLGQSA-N 0 1 406.302 2.461 20 5 HEBDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000742304112 1076812610 /nfs/dbraw/zinc/81/26/10/1076812610.db2.gz PCRHQTJEMYNVGR-QWRGUYRKSA-N 0 1 406.302 2.461 20 5 HEBDMN CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000767315361 1079815062 /nfs/dbraw/zinc/81/50/62/1079815062.db2.gz NRXIUZAJXDQFKF-NWDGAFQWSA-N 0 1 424.342 2.023 20 5 HEBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc([N+](=O)[O-])c1F ZINC000768266968 1080449924 /nfs/dbraw/zinc/44/99/24/1080449924.db2.gz YPHLRCCDYQVUAJ-UHFFFAOYSA-N 0 1 423.422 2.316 20 5 HEBDMN NC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1F ZINC000768497152 1080592774 /nfs/dbraw/zinc/59/27/74/1080592774.db2.gz HGAWMBAKOBMNNB-UHFFFAOYSA-N 0 1 418.200 2.396 20 5 HEBDMN O=C(COC(=O)[C@H]1CCCN1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786883432 1080885577 /nfs/dbraw/zinc/88/55/77/1080885577.db2.gz ZWJWSRHSTZEIJP-CQSZACIVSA-N 0 1 405.407 2.212 20 5 HEBDMN COc1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971420 722112578 /nfs/dbraw/zinc/11/25/78/722112578.db2.gz CKBFMQDRFQBUDM-IEBWSBKVSA-N 0 1 413.478 2.429 20 5 HEBDMN COc1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164971423 722112706 /nfs/dbraw/zinc/11/27/06/722112706.db2.gz CKBFMQDRFQBUDM-PKOBYXMFSA-N 0 1 413.478 2.429 20 5 HEBDMN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971942 722121247 /nfs/dbraw/zinc/12/12/47/722121247.db2.gz DXEZIAYTRIAZQW-WBVHZDCISA-N 0 1 419.869 2.004 20 5 HEBDMN O=C(c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)N1CCN(C2CCCCC2)CC1 ZINC000769718173 1078534004 /nfs/dbraw/zinc/53/40/04/1078534004.db2.gz XJRRSYZLGYALCH-UHFFFAOYSA-N 0 1 420.422 2.365 20 5 HEBDMN CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011883 1079098991 /nfs/dbraw/zinc/09/89/91/1079098991.db2.gz NDYYPEFYDUKXQK-BPKGMFCQSA-N 0 1 411.499 2.305 20 5 HEBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000737270935 1075898934 /nfs/dbraw/zinc/89/89/34/1075898934.db2.gz QVDSXWRILQERPQ-UHFFFAOYSA-N 0 1 400.782 2.288 20 5 HEBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000737270935 1075898935 /nfs/dbraw/zinc/89/89/35/1075898935.db2.gz QVDSXWRILQERPQ-UHFFFAOYSA-N 0 1 400.782 2.288 20 5 HEBDMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000741759125 1076617656 /nfs/dbraw/zinc/61/76/56/1076617656.db2.gz XOSNVFGBZVGZQG-LLVKDONJSA-N 0 1 406.302 2.368 20 5 HEBDMN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1[N+](=O)[O-] ZINC000741943762 1076688058 /nfs/dbraw/zinc/68/80/58/1076688058.db2.gz UPNNXMJXGWKUMO-UHFFFAOYSA-N 0 1 401.379 2.224 20 5 HEBDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000742304113 1076812530 /nfs/dbraw/zinc/81/25/30/1076812530.db2.gz PCRHQTJEMYNVGR-WDEREUQCSA-N 0 1 406.302 2.461 20 5 HEBDMN COc1ccc(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)c(O)c1 ZINC000785491332 1080016866 /nfs/dbraw/zinc/01/68/66/1080016866.db2.gz TVDMZCGQORAYSZ-UHFFFAOYSA-N 0 1 409.376 2.066 20 5 HEBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC[C@@H](C)CO)cc2)cc1[N+](=O)[O-] ZINC000785545736 1080051980 /nfs/dbraw/zinc/05/19/80/1080051980.db2.gz VKZAFLLHUSNCJD-LBPRGKRZSA-N 0 1 408.432 2.489 20 5 HEBDMN COc1ccc(NC(=O)COC(=O)CC2(N3CCOCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000786102031 1080396886 /nfs/dbraw/zinc/39/68/86/1080396886.db2.gz VHKIVMCUKBGCSI-UHFFFAOYSA-N 0 1 421.450 2.120 20 5 HEBDMN Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800731 1080778798 /nfs/dbraw/zinc/77/87/98/1080778798.db2.gz LWWHFBYVFPHRNG-GOSISDBHSA-N 0 1 403.460 2.373 20 5 HEBDMN Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800731 1080778804 /nfs/dbraw/zinc/77/88/04/1080778804.db2.gz LWWHFBYVFPHRNG-GOSISDBHSA-N 0 1 403.460 2.373 20 5 HEBDMN COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808358 1080785746 /nfs/dbraw/zinc/78/57/46/1080785746.db2.gz XNGQASUOVLLSDD-KRWDZBQOSA-N 0 1 419.459 2.073 20 5 HEBDMN COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808358 1080785754 /nfs/dbraw/zinc/78/57/54/1080785754.db2.gz XNGQASUOVLLSDD-KRWDZBQOSA-N 0 1 419.459 2.073 20 5 HEBDMN COc1ccccc1[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1C ZINC000768799321 1080803909 /nfs/dbraw/zinc/80/39/09/1080803909.db2.gz TVBDSDKTJLVNLV-OAHLLOKOSA-N 0 1 408.461 2.466 20 5 HEBDMN COC1CCN(C2(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000768838281 1080819260 /nfs/dbraw/zinc/81/92/60/1080819260.db2.gz RWBTWLJYBMWTHP-UHFFFAOYSA-N 0 1 403.526 2.358 20 5 HEBDMN COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883429 1080831252 /nfs/dbraw/zinc/83/12/52/1080831252.db2.gz ZPXDQZXDNKRFBS-DEOSSOPVSA-N 0 1 404.491 2.352 20 5 HEBDMN COC(=O)c1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164862796 720970679 /nfs/dbraw/zinc/97/06/79/720970679.db2.gz UQQMIOGYVKSTCY-CYBMUJFWSA-N 0 1 402.455 2.394 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883649 721420533 /nfs/dbraw/zinc/42/05/33/721420533.db2.gz BPTJPHFHKHFNSI-KKSFZXQISA-N 0 1 414.510 2.237 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)CC1 ZINC001164794713 721522123 /nfs/dbraw/zinc/52/21/23/721522123.db2.gz GWFOAIOMSSIFJV-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983423 722100529 /nfs/dbraw/zinc/10/05/29/722100529.db2.gz QAPUBGXYWPAGGK-GOEBONIOSA-N 0 1 404.858 2.161 20 5 HEBDMN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000769928736 1078662240 /nfs/dbraw/zinc/66/22/40/1078662240.db2.gz VTYANRAWJFACOY-CYBMUJFWSA-N 0 1 420.426 2.248 20 5 HEBDMN COc1nc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000770510565 1078871757 /nfs/dbraw/zinc/87/17/57/1078871757.db2.gz BNSSETPQNYOSEH-UHFFFAOYSA-N 0 1 401.278 2.066 20 5 HEBDMN COC(=O)[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000766791719 1079383341 /nfs/dbraw/zinc/38/33/41/1079383341.db2.gz BQPJPNXSOVWVNW-MRXNPFEDSA-N 0 1 414.386 2.249 20 5 HEBDMN Cc1c(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771569922 1079388784 /nfs/dbraw/zinc/38/87/84/1079388784.db2.gz GIBVKEFSEIAYRP-UHFFFAOYSA-N 0 1 412.362 2.439 20 5 HEBDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000771758874 1079489072 /nfs/dbraw/zinc/48/90/72/1079489072.db2.gz QNQBPCQVUFCDJB-UHFFFAOYSA-N 0 1 403.476 2.210 20 5 HEBDMN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000745334880 1077805269 /nfs/dbraw/zinc/80/52/69/1077805269.db2.gz YMOJMSXQWPYEGH-QFBILLFUSA-N 0 1 411.458 2.460 20 5 HEBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000785515905 1080029634 /nfs/dbraw/zinc/02/96/34/1080029634.db2.gz UEVNOBYSDFIXTR-GFCCVEGCSA-N 0 1 408.432 2.489 20 5 HEBDMN Cc1c(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000785825224 1080260865 /nfs/dbraw/zinc/26/08/65/1080260865.db2.gz DNFKYOQLBCXXMR-GFCCVEGCSA-N 0 1 406.439 2.445 20 5 HEBDMN Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800732 1080778707 /nfs/dbraw/zinc/77/87/07/1080778707.db2.gz LWWHFBYVFPHRNG-SFHVURJKSA-N 0 1 403.460 2.373 20 5 HEBDMN Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800732 1080778715 /nfs/dbraw/zinc/77/87/15/1080778715.db2.gz LWWHFBYVFPHRNG-SFHVURJKSA-N 0 1 403.460 2.373 20 5 HEBDMN O=C(c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC[C@@H](O)C1 ZINC000768884007 1080831727 /nfs/dbraw/zinc/83/17/27/1080831727.db2.gz PKDVUCUHDLUSAF-CYBMUJFWSA-N 0 1 411.461 2.054 20 5 HEBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CC1 ZINC000768890480 1080834973 /nfs/dbraw/zinc/83/49/73/1080834973.db2.gz WRIMCFYBLBRMMN-UHFFFAOYSA-N 0 1 417.490 2.206 20 5 HEBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786911765 1080881098 /nfs/dbraw/zinc/88/10/98/1080881098.db2.gz ODAHPCWVOSWJEY-AWEZNQCLSA-N 0 1 418.475 2.249 20 5 HEBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164855574 720929283 /nfs/dbraw/zinc/92/92/83/720929283.db2.gz IROGPBKBNGDOPG-CYBMUJFWSA-N 0 1 402.455 2.394 20 5 HEBDMN Cc1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164870073 721045966 /nfs/dbraw/zinc/04/59/66/721045966.db2.gz VPWUKBCSQXRTDT-HUUCEWRRSA-N 0 1 404.858 2.221 20 5 HEBDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164765066 721099288 /nfs/dbraw/zinc/09/92/88/721099288.db2.gz IHJNOBVCHZPDGN-RYUDHWBXSA-N 0 1 412.281 2.383 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)C3)O2)CC1 ZINC001164893625 721382797 /nfs/dbraw/zinc/38/27/97/721382797.db2.gz WFUALQAHCHXXRM-LPHOPBHVSA-N 0 1 409.918 2.409 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])C3)O2)CC1 ZINC001164888502 721391608 /nfs/dbraw/zinc/39/16/08/721391608.db2.gz JOJBNFHFHKBQFS-HNAYVOBHSA-N 0 1 409.918 2.409 20 5 HEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164889823 721392746 /nfs/dbraw/zinc/39/27/46/721392746.db2.gz MNMVTBVZEWURNW-DNVCBOLYSA-N 0 1 424.933 2.112 20 5 HEBDMN Cc1c(C)c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164890913 721418206 /nfs/dbraw/zinc/41/82/06/721418206.db2.gz UIBZRWWTMSXGGI-RXVVDRJESA-N 0 1 403.527 2.372 20 5 HEBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)C3)O2)CC1 ZINC001164883643 721420544 /nfs/dbraw/zinc/42/05/44/721420544.db2.gz BPTJPHFHKHFNSI-HRAATJIYSA-N 0 1 414.510 2.237 20 5 HEBDMN CN1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)CC1 ZINC001164794201 721512353 /nfs/dbraw/zinc/51/23/53/721512353.db2.gz KNFRCFGSSWLJBX-UHFFFAOYSA-N 0 1 407.478 2.107 20 5 HEBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907586 721567227 /nfs/dbraw/zinc/56/72/27/721567227.db2.gz OTSVKSGYKGXQMF-GDBMZVCRSA-N 0 1 416.409 2.257 20 5 HEBDMN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979180 722129302 /nfs/dbraw/zinc/12/93/02/722129302.db2.gz PMKVSZGOMQOWRM-DOTOQJQBSA-N 0 1 419.869 2.004 20 5 HEBDMN